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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
(1'R,2R,4S,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione
386.60
6
0
3
43.37
3
(1'R,2S,4R,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione
386.60
6
0
3
43.37
3
(1'R,2S,4S,5'S)-6,6,8,8-tetramethyl-4-(2-methylpropyl)-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.0]hexane]-5,7-dione
386.60
6
0
3
43.37
3
(2R,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
386.60
6.6
0
3
43.37
6
(2S,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
386.60
6.6
0
3
43.37
6
(1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14aR,14bR)-6a-formyl-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
470.70
5.9
2
4
74.6
2
(1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14aR,14bR)-10-hydroxy-4a-methoxycarbonyl-1,2,6b,9,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-6a-carboxylic acid
500.70
6.3
2
5
83.83
3
(4aS,6aR,6aR,6bR,8aR,10S,12aR)-10-hydroxy-4a-methoxycarbonyl-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicene-6a-carboxylic acid
500.70
6.1
2
5
83.83
3
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,13R,14bS)-10,11,13-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
504.70
4.7
5
6
118.22
2
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
518.70
5.3
4
6
107.22
3
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
502.70
4.8
4
6
115.06
2
(1R,4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14aR,14bS)-4,10-dihydroxy-4a-methoxycarbonyl-1,2,6b,9,9,12a-hexamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-6a-carboxylic acid
516.70
5.7
3
6
104.06
3
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,13R,14bS)-10,11,13-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
502.70
3.8
5
6
118.22
2
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
516.70
4.3
4
6
107.22
3
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
500.70
3.8
4
6
115.06
2
[(1R,4S,7S,9R)-11-hydroxy-5,5-dimethyl-12-oxo-13-propan-2-yl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadeca-10,13-dien-7-yl] acetate
374.50
3.1
1
5
72.83
3
(1R,4S,7S,9R)-7,11-dihydroxy-5,5-dimethyl-13-propan-2-yl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadeca-10,13-dien-12-one
332.40
2.5
2
4
66.76
1
(1R,10S,12S,14S)-14-methoxy-11,11-dimethyl-5-propan-2-yl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadeca-2,4,6-triene-3,4-diol
346.50
4.6
2
4
58.92
2
[(1R,8S,10S,13S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-13-yl] acetate
374.50
3.9
2
5
75.99
3
[(3S,4aR)-5,6,10-trihydroxy-1,1,4a-trimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] acetate
388.50
4
3
6
104.06
3
[(2E,4Z)-6-acetyloxy-2-(acetyloxymethyl)hexa-2,4-dienyl] benzoate
332.30
2.6
0
6
78.9
11
[(2E,4Z)-6-acetyloxy-2-(hydroxymethyl)hexa-2,4-dienyl] benzoate
290.31
2
1
5
72.83
9
7-Hydroxy-3-(7-hydroxy-6,8-dimethoxy-2-oxochromen-3-yl)-6,8-dimethoxychromen-2-one
442.40
2.7
2
10
137.8
5
3-Methylphenanthrene
192.25
5.2
0
0
0
0
(2R,3R)-2-ethenyl-3,7-dihydroxy-2,8-dimethyl-3,4,9,10-tetrahydrophenanthren-1-one
284.30
2.6
2
3
57.53
1
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