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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
2-[[12-hydroxy-17-(5-hydroxy-6-methylhepta-2,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
620.90
5.9
6
8
139.84
7
(1R,2S,4S,8R,9S)-7-ethylidene-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-5-carbaldehyde
398.50
1.2
0
5
68.31
2
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
562.50
3
5
11
176.12
8
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 3-phenylprop-2-enoate
562.50
3
5
11
176.12
8
[17-Acetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icosa-3,9-dien-19-yl] 2-methylbut-2-enoate
566.70
3.9
1
8
104.43
6
[18,19-Diacetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-3-yl] acetate
600.70
2.3
0
11
147.94
7
[3,5-Dihydroxy-2-[4-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl] 4-hydroxybenzoate
614.50
2.4
6
14
210.9
9
(12S)-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaene-5,12-diol
356.40
4.2
2
5
68.15
2
5-Hydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one
354.40
3.8
1
5
64.99
2
6-[2-[[4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-9-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
955.10
2.8
10
19
308.89
8
bis[[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexyl]methyl] (2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedioate
1039.10
0.2
15
23
392.97
23
1-O-[[(1S,3S,4S)-4-formyl-3-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethenyl]cyclohexyl]methyl] 4-O-[[(1S,3S,4S)-4-formyl-3-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohexyl]methyl] (3E)-3-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-hydroxyphenyl)methylidene]butanedioate
1033.00
0.1
13
23
386.65
22
1,3,6,7-tetrahydroxy-4-[1,3,6,7-tetrahydroxy-9-oxo-2-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-4-yl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
842.70
-1
16
22
402.56
5
[(E,3R)-2-hydroxy-2,6-dimethyl-8-(2-oxochromen-7-yl)oxyoct-6-en-3-yl] octadec-11-enoate
596.80
11
1
6
85.97
24
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
622.80
6.7
4
7
116.45
6
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] 3-(4-hydroxyphenyl)prop-2-enoate
592.80
6.7
4
6
107.22
5
4-[(1R)-1-(2,4-dihydroxyphenyl)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]propyl]-6-[(2S)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
680.80
10
5
8
128.84
12
4-[(1R)-1-(2,4-dihydroxyphenyl)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]propyl]-6-[(2R)-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
680.80
10
5
8
128.84
12
[(1S,2S,4S,5S,6R,7S,9R,10S,11R,13R,14R,15S)-2,4,5,7,10,11-hexaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-9-(2-methylpropoxy)-16-oxatricyclo[11.2.1.02,6]hexadecan-14-yl] acetate
784.80
2.3
1
17
222.79
17
6-[4-[(3S,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-1,4-dihydroxy-5,6-dihydrobenzo[c]xanthen-7-one
540.70
7.4
3
5
90.9
3
methyl (4S,6S)-6-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-4H-pyran-3-carboxylate
686.70
-2.2
8
17
260.59
14
[(2R)-3-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-octadeca-9,12-dienoyloxypropyl] octadec-11-enoate
1004.10
9.3
5
15
285.11
43
(1S,2S,3S,4S,5S,6R,8S,9S,10S,13S,16R,17R,18R)-11-ethyl-4,6,8-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-9,16,18-triol
467.60
-0.6
3
8
100.85
6
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,13,14,16,22,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-12-yl] (2R)-2-methylbutanoate
593.70
0.9
6
10
160.15
4
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19R,20S,22S,23S,25R)-20-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2S)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
751.90
1.6
6
14
212.75
10
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