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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
[(3aR,4S,9R,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,8,9,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
412.40
1.4
2
7
110.13
5
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
788.70
-3.6
14
22
368.81
10
3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
566.70
0.4
5
10
155.14
5
[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7S,8S,9R,12R,13R,16R)-4'-[[(2S,5R,6S,7R,8S,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
1139.20
1.2
7
24
329.88
14
[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R)-2-[(1S,2S,3'R,4R,4'R,6R,7S,8S,9R,12R,13R,16R)-4'-[[(2S,5S,6S,7R,8S,10R)-6,7-dihydroxy-2-[(2S)-2-hydroxybutan-2-yl]-10-methyl-3-oxo-1,4,9-trioxaspiro[4.5]decan-8-yl]oxy]-3',16-dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
1139.20
1.2
7
24
329.88
14
3-[(1S,4aR,5S,6S,8aR)-5-[(5-acetyloxy-2-hydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
470.60
7
2
5
83.83
7
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
897.10
2.2
9
16
246.68
7
(4R,5S)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one
234.33
3.2
1
2
37.3
4
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-4-acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] (E)-3-phenylprop-2-enoate
639.80
2.7
1
10
112.99
12
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-4-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] (E)-3-phenylprop-2-enoate
623.80
3.7
0
9
92.76
12
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,18-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-phenylprop-2-enoate
567.70
2.6
2
8
97.69
9
(1S,2R,4S,5R,10S,14S,17R)-5-[(2R)-2-hydroxy-1-methylsulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
408.50
-0.4
1
8
121.64
3
(1S,2S,5R,6R,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
332.40
3.3
0
4
44.76
0
(1S,2S,5R,6S,8S,11S,14R,17S,20R)-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
332.40
3.3
0
4
44.76
0
(1S,2S,3R,5S,6R,8S,11S,14R,17S,20R)-3-hydroxy-6,14-dimethyl-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
348.40
2
1
5
64.99
0
7-hydroxy-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
340.28
-0.6
5
9
149.82
3
(2S)-2-[[(10S,16R,18S,21S,24S,27S,28S)-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-21,28-di(propan-2-yl)-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]butanedioic acid
1115.20
-0.2
13
16
439.55
16
5-(diaminomethylideneamino)-2-[[(10S,16S,21S,24S,27S,28R)-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-21,28-di(propan-2-yl)-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]pentanoic acid
1156.30
-0.5
14
15
466.65
18
(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carboxylic acid
1014.10
1.3
11
13
373.15
13
2-[[(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]butanedioic acid
1129.20
0.2
13
16
439.55
17
2-[[(10S,16S,21S,24S,27S,28R)-21-butan-2-yl-16-[3-(diaminomethylideneamino)propyl]-24-(2-methylpropyl)-12,15,17,20,23,26-hexaoxo-27-[[2-oxo-2-[(2S)-5-oxopyrrolidin-2-yl]acetyl]amino]-28-propan-2-yl-3,5,7,11,14,19,22,25-octazapentacyclo[16.13.2.12,29.15,8.04,32]pentatriaconta-1,4(32),6,8(35),29(34),30-hexaene-10-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
1170.30
-0.2
14
15
466.65
19
(2S,3S,9S,17S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
890.90
9.5
9
11
200.53
6
(2S,3S,9S,17R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
890.90
9.5
9
11
200.53
6
(3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(3S,4R)-2-(3,4-dihydroxyphenyl)-4-[(3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
1155.00
4.3
20
24
441.52
7
(2R)-2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxybutanedioic acid
256.21
-0.3
5
7
135.29
5
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