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SCFBio, IIT Delhi Hauz Khas, New Delhi

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
5-[1-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
472.60
6.2
4
6
115.06
7
(1R,4S,5R,8S,11S,12S,13R,16R,17R,18R)-5,9,9,12-tetramethyl-20-oxo-18-prop-1-en-2-yl-19-oxahexacyclo[16.2.2.01,17.04,16.05,13.08,12]docosane-4,11-dicarboxylic acid
498.60
6
2
6
100.9
3
(5R,10S,13S,14S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
514.70
5
2
5
75.99
5
(1R,2R,6S,9R,12S,13R,18R,19R)-8-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18,19-dihydroxy-4,4,9,13-tetramethyl-3,5-dioxapentacyclo[10.8.0.02,6.02,9.013,18]icosa-7,15-dien-14-one
526.70
2.9
2
7
102.29
2
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(1S,2S,3S,4R)-2,4-dihydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
490.70
4.6
5
5
101.15
2
[(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-1,2,3a,9,13-pentaacetyloxy-10-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate
714.80
3.5
1
14
195.1
13
(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthrene-3,7,11-trione
502.70
3.3
3
6
111.9
5
[(1S,2S,3aR,4R,4aS,4bS,6R,8aS,9aR,10R,10aR)-4,8a,10-triacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxo-1,2,3,4,4b,5,7,9,10,10a-decahydrocyclopenta[b]fluoren-1-yl] benzoate
614.70
2.8
2
11
162.73
9
(3R,5R,9R,10R,13S,14S,17S)-17-[(3S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
470.70
7.7
1
3
38.69
3
[(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aS)-2,3a,9,10,11,13-hexaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] benzoate
756.80
4
0
15
201.17
15
[(2R,3S,4S,5R,6S)-6-(2-acetyl-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
476.40
1
6
11
183.21
8
(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5S)-2-ethoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
484.80
8.1
1
3
38.69
4
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
516.80
5.6
2
5
75.99
5
(5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5S,6S)-2-ethoxy-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
516.80
6.2
2
5
75.99
4
(1R,6S,9R,10S,13S)-10-benzoyl-6-(2-hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione
586.80
8.6
1
5
80.67
9
(1R,2R,5S,8R,9R,10R,13R,14R,15S,16S,18R)-16-hydroxy-15-methoxycarbonyl-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
500.70
7.9
2
5
83.83
4
(3S,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-2-ethoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
484.80
8.1
1
3
38.69
4
1,2,4-Triethylbenzene
162.27
4.3
0
0
0
3
(1S,2R,5R,7S,8R,9R,10R,13R,14R,15R,18S)-7-hydroxy-8-methoxycarbonyl-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-1,18-dicarboxylic acid
530.70
6.4
3
7
121.13
5
(5R,7R,8R,9R,10R,13S,17S)-7-hydroxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one
490.70
4.3
4
5
97.99
5
[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R)-2,7,16-triacetyloxy-8-benzoyloxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] pyridine-3-carboxylate
789.90
6
0
14
179.92
15
5-methoxy-2,2-dimethyl-4H-naphtho[3,2-g][1,3]benzodioxine-6,11-dione
324.30
2.9
0
5
61.83
1
(5R,9R,10R,13S,14S,17R)-17-[(3S,5R,6S)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
472.70
5.8
2
4
66.76
2
[(1R,2R,3R,3aS,5S,6E,9S,10S,11S,13R,13aS)-1,3a,9,10-tetraacetyloxy-11-benzoyloxy-2,3-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] benzoate
792.80
4.1
2
15
215.33
14
[(1S,2R,3R,4R,5R,6R,7S,9R,12R)-4,12-diacetyloxy-5-benzoyloxy-3-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
594.60
4.5
1
10
134.66
10
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