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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
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1133.20
1
14
25
408.27
13
(1R,2R,10S,13R)-15-(hydroxymethyl)-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-en-11-one
261.36
0.5
1
3
40.54
1
(1R,2R,5S,10R,11R,14R,15S,18S,23S)-2,7,7,10,14,15,21,21-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
512.80
7.8
1
4
55.76
1
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-12-benzoyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-14-yl] benzoate
680.80
6.1
0
9
110.5
10
[(1S,3S,3aR,5R,7S,7aS)-1-[(1S)-1-acetyloxyethyl]-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
490.60
5.6
0
7
95.97
12
(1S,4S,5S,9R,10S,13S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
302.50
4.5
1
2
37.3
1
(1R,3S,4S,5S,6R,10R,11S,12S,13R,17R,18S,19S,20R)-4,5,18,19,20-pentahydroxy-3-(hydroxymethyl)-11,12-bis(4-hydroxyphenyl)-2,8,15,21,22-pentaoxatetracyclo[15.3.1.13,6.010,13]docosane-9,14-dione
634.60
-1.6
8
15
242.13
3
(E)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
464.40
1
7
11
186.37
7
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate
796.70
-1.5
9
20
303.19
12
4-acetyl-4-hydroxyheptane-2,6-dione;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
660.80
2
12
193.24
12
7-(3,5-Dimethoxyphenyl)-2-methoxy-3-methyl-4,9,10,11-tetrahydrocyclohepta[f]quinolin-1-one
391.50
4.9
1
5
60.55
4
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (E)-3-phenylprop-2-enoate
674.80
5.2
3
10
144.28
12
6-dodecyl-3-methoxy-2-methyl-1H-pyridin-4-one
307.50
6.7
1
3
42.09
12
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5R)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] benzoate
692.80
4.5
0
11
136.8
13
(1R,4aR,6aR,6bS,8aR,12aS,14R,14aS,14bS)-1,8a-dihydroxy-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione
486.70
3.9
2
5
83.83
1
(1S,10R,11S,13S,14R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol
263.37
1
2
3
43.7
0
[(1S,2S,4R,11R,12S,14R,16S)-14-hydroxy-16-methyl-3-oxa-7-azapentacyclo[9.6.0.01,7.02,4.02,14]heptadecan-12-yl] 3-(4-hydroxyphenyl)propanoate
427.50
2.7
2
6
82.53
5
[(2R,4aS,8S,8aR)-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
390.50
2.7
1
6
89.9
5
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
943.10
1.3
11
19
312.05
9
H-Cys(1)-Thr-Pro-Ser-Gly-Thr-Ile-Cys(2)-Ser-Pro-Glu-Ala-Pro-Glu-Gln-Cys(3)-Cys(1)-Ser-Asn-Ser-Cys(2)-Val-Pro-His-Gln-Trp-Leu-Arg-Ile-Phe-Val-Cys(3)-Ala-OH
3562.10
-10
46
56
1542.78
42
[(3aR,6R,8R,9E,11aS)-10-methyl-3-methylidene-2,5-dioxospiro[3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6,2'-oxirane]-8-yl] acetate
320.30
0.8
0
6
82.2
2
[(3aR,5S,8R,9E,11aS)-8-acetyloxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-5-yl] acetate
348.40
1.9
0
6
78.9
4
(1S,2R,3R,4S,5R,9S,10S,13S)-2,3-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
334.40
2.9
3
4
77.76
1
(5R)-2-(hydroxymethyl)-1,3-dimethoxy-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-4-one
385.50
4.8
1
5
60.69
9
(9Z,12Z)-N-[(3,4-dimethoxyphenyl)methyl]octadeca-9,12-dienamide
429.60
7.8
1
3
47.56
18
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