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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
(2R)-2-[[(1S,3R,4aS,5S,8aR)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-methyl-2H-furan-5-one
334.40
2.4
2
4
66.76
3
4-[2-[(1R,3S,3aS,7aS)-1-hydroxy-4,4,7a-trimethyl-3-propanoyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-yl]ethyl]-2-methoxy-2H-furan-5-one
380.50
3.3
1
6
82.06
6
3-[(1S)-2-[(1S,2R,4aR,7S,9aR)-7-hydroxy-1,2,4a-trimethyl-5-oxo-2,3,4,6,7,8,9,9a-octahydrobenzo[7]annulen-1-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
366.40
1.6
3
6
104.06
3
(1'S,2S,4'S,6'R,9'S,10'S,13'S)-6'-hydroxy-9'-methyl-14'-methylidenespiro[oxirane-2,5'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-15'-one
302.40
2.5
1
3
49.83
0
(4aR)-5-[2-(furan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
328.40
2.8
1
4
67.51
3
(1S,12S,13S)-13-hydroxy-5-methoxy-6-methyl-12-phenyl-16-oxa-7-azatetracyclo[10.3.1.02,11.03,8]hexadeca-2(11),3(8),5,9-tetraen-4-one
363.40
2.8
2
5
71.55
2
[(1Z,3aR,5R,7S,7aS)-1-ethylidene-3-hydroxy-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
346.50
3.9
1
4
63.6
5
[(3S,3aR,5R,7S,7aS)-1-(1-methoxyethyl)-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
462.60
5.5
0
6
78.9
11
methyl 3-[(1R,4aR,4bS,6aR,9R,10aS,12aR)-6a-hydroxy-9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
504.70
3.5
3
6
104.06
6
(4E,6E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
354.40
3.8
2
5
75.99
8
methyl 3-[(1R,4aR,4bS,6aS,9R,10aS,12aR)-6a,9-bis(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
518.70
3.9
3
6
104.06
7
[(2S,3R,4R,5S)-2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
728.70
5.8
4
13
179.67
16
[(3aS,5aS,6R,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-6-yl] acetate
306.40
1.4
1
5
72.83
2
[(1S,2R,4aR,7R,9aR)-1-[(2S)-2-[(2S)-2-acetyloxy-5-oxo-2H-furan-3-yl]-2-hydroxyethyl]-1,2,4a-trimethyl-5-oxo-2,3,4,6,7,8,9,9a-octahydrobenzo[7]annulen-7-yl] acetate
450.50
2.2
1
8
116.2
7
(1S,2S,4S,9S,12S,13R,16S,18R,19R)-4,18,19-trihydroxy-16-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-7,9,13-trimethyl-5-[(2R)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]pentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-6-one
1079.20
-4.3
15
24
394.36
13
(1S,3R,5S,9R,11S)-9-hydroxy-12-methylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradecan-13-one
238.28
1.3
1
4
59.06
0
(3aR,5R,11aR)-5-hydroxy-3,6,10-trimethylidene-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-2,9-dione
262.30
1.2
1
4
63.6
0
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(1R,2S,6R,7S,8S,9S,12S,13R,16S)-6,8-dihydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1081.20
-3
15
24
386.52
15
(1R,12S)-5-methoxy-12-(2-methoxyphenyl)-6-methyl-14-oxa-7-azatetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),5,9-tetraen-4-one
377.40
3.8
1
5
60.55
3
(4aR)-5-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione
392.50
1.7
2
6
93.06
5
3-[(1R,4aR,4bS,6aR,9R,10aS,12aR)-6a-hydroxy-9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid
490.70
3.1
4
6
115.06
5
(1R,9S,11R,13E)-1-amino-13-(2-hydroxyethylidene)-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
260.33
-0.5
3
3
79.11
1
(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]-3,4,5-trihydroxyoxane-2-carboxylic acid
618.80
4.5
5
9
153.75
3
(3S,8R,9S,10R,13S,14S,17Z)-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-10,13-dimethyl-17-[(6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-ylidene]-1,2,3,4,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-7,16-dione
1059.10
-3.1
12
23
367.81
15
(4aS,5R,6S)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,1,4a,6-tetramethyl-4,6-dihydro-3H-naphthalene-2,7-dione
346.40
2.1
2
5
87.74
3
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