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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-Hydroxy-6,10-dimethoxy-4-oxo-2-propylbenzo[h]chromen-8-yl) hydrogen sulfate
410.40
3.1
2
9
140.88
6
CID 101293615
472.70
5.3
3
4
77.76
5
(24r)-4alpha,14alpha,24-Trimethyl-5alpha-cholesta-8,25(27)-dien-3beta-ol
426.70
9.2
1
1
20.23
5
Withaperuvin D
520.60
-0.3
5
9
153.75
2
(1S,2R,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,6-dione
500.60
1
3
8
133.66
2
Withaphysalin D
466.60
2.9
1
6
89.9
1
[(1R,2S,6R,7R,8R,11S,12R,14R)-11-acetyloxy-1,7-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] (Z)-2-methylbut-2-enoate
434.40
-0.6
2
9
131.89
5
[(1S,2S,6R,7R,8R,11S,12R,14S)-11-acetyloxy-7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-8-yl] (Z)-2-methylbut-2-enoate
418.40
0.5
1
8
111.66
5
(1R,27R,29R,30R,47S)-6,7,8,15,16,17,21,29,35,36,37,40,41,42-tetradecahydroxy-2,12,19,25,28,31,46-heptaoxanonacyclo[25.20.0.04,9.010,23.011,20.013,18.030,47.033,38.039,44]heptatetraconta-4,6,8,10,13(18),14,16,20,22,33,35,37,39,41,43-pentadecaene-3,24,32,45-tetrone
906.60
1.7
14
25
416.11
0
(1S,2S,6S,7S,8R,11S,14S,15R,18R,20S)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
470.70
6.3
2
4
66.76
1
(1R,2S,6S,9S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
431.70
4.1
3
4
63.93
0
(1S,2S,3R,6Z,7S,9R,10S)-6-ethylidene-3-hydroxy-11,20-dimethyl-4,21-dioxa-11,20-diazahexacyclo[8.7.3.22,9.01,10.02,7.012,17]docosa-12,14,16-trien-22-one
382.50
1.3
1
6
62.24
0
5-Hydroxy-5a-cholestane-3,6-dione
416.60
6.6
1
3
54.37
5
CID 101297587
220.35
3.5
1
1
20.23
0
(2S,4S,6R,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
328.40
1.9
1
4
50.8
2
[(3aR,4aR,6R,7R,8aS,9aR)-6-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] (Z)-2-methylbut-2-enoate
346.40
2.7
1
5
72.83
3
methyl (1R,2S,3R,11S,12R,13R,15R)-12-hydroxy-14-oxo-10,17-diazaheptacyclo[9.9.2.01,13.02,17.03,11.03,15.04,9]docosa-4,6,8-triene-10-carboxylate
380.40
1.1
1
5
70.08
1
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
508.70
1.6
6
7
138.45
7
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-2,3-dihydroxy-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
508.70
1.4
6
7
138.45
7
(3I(2),4I+/-,20I(2))-3,23-Dihydroxyolean-12-ene-28,29-dioic acid
502.70
5.2
4
6
115.06
3
[(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
514.70
6.6
1
5
68.29
4
(1R,2S,4aS,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
308.50
5.1
2
2
40.46
4
Aristola-1(10),8-dien-2-one
216.32
3.1
0
1
17.07
0
methyl (1R,9R,11S,14Z,15R,17S,19S)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
338.40
2.1
1
5
50.8
2
[(3aR,4aR,6R,7R,8aS,9aR)-6-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate
306.40
1.5
1
5
72.83
2
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