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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
2-[(1R)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpyridin-3-ol
426.60
5.3
3
4
79.37
2
(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-(3-oxobutyl)-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
292.40
4.1
1
3
54.37
4
(1R,2R,6S,9R,11S)-2-hydroxy-9,11,14,14-tetramethyl-6-phenyl-7,12-dioxatetracyclo[7.4.1.02,11.03,8]tetradec-3(8)-ene-4,10-dione
368.40
1.5
1
5
72.83
1
1,3,5-Tris(3-methylbut-2-enyl)cyclohexane-1,2,3,4,5,6-hexol
384.50
1.6
6
6
121.38
6
4-[(S)-hydroxy-[(2S,3S,4S)-4-hydroxy-3-(4-hydroxyphenyl)oxolan-2-yl]methyl]benzene-1,2-diol
318.32
0.8
5
6
110.38
3
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,4a,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-5-one
426.70
6.9
1
2
37.3
0
(2S)-8-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
542.50
4.5
6
10
173.98
3
methyl (1R,10S,12R,13E,17S,18R,19R)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.01,9.02,7.010,15.014,18]nonadeca-2,4,6,8-tetraene-19-carboxylate
352.40
1
1
6
71.36
2
3-[(1R,2R,3S)-2-[2-[(1R,4aR,6S,8aS)-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-8a-methyl-2-oxo-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]ethyl]-3-hydroxy-2-methylcyclopentyl]-2H-furan-5-one
534.70
2.5
2
8
111.52
7
(2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(2E)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol
306.50
5.4
2
2
40.46
3
(1S,2R,5R,7S,10R,11R,14R,15S,20R)-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosane-7,16-diol
472.70
6.1
2
4
58.92
1
(2Z,8Z)-4,4,8-trimethylcycloundeca-2,8-dien-1-one
206.32
3.8
0
1
17.07
0
(1R,4R,5R,7S,11R)-5,10,11-trimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
218.33
3.5
0
1
17.07
0
[(1R,2R,6S,8S,10S,12S)-8-methyl-3-methylidene-4,14-dioxo-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-en-12-yl] acetate
334.30
0.8
0
7
91.43
2
(1R,2S,6S,9S,11S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
415.70
5.5
2
3
43.7
0
13,16-Dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene
333.50
6.2
1
1
25.02
1
methyl (1S,6S,7S,7aS)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
404.40
-3.1
6
11
175.37
5
3,4,5-trihydroxy-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-1-[(2S,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one
564.50
0.6
9
12
217.6
2
(3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-4,9-dihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-2,3,3a,4,5,6,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-7-one
474.70
5.4
3
4
77.76
1
(3R,4R,4aR,6R)-3,4a-dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
236.31
1.5
2
3
57.53
1
6,13-Dihydroxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-3-one
254.24
2.6
2
4
70.67
0
(2S)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
436.50
5.6
2
6
85.22
4
(2S)-8-[2,3-dihydroxy-5-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
558.50
3
7
11
194.21
3
(1S,2S,5S,6R,7R,10S,11S,13R,14S,15R,20R)-7-hydroxy-5,6,11,14,17,17,20-heptamethyl-24-oxahexacyclo[11.9.2.01,14.02,11.05,10.015,20]tetracosan-23-one
456.70
8
1
3
46.53
0
1-[(1S,3aR,7S,7aS)-4-methyl-7-propan-2-yl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl]ethanone
220.35
3.3
0
1
17.07
2
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