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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-(8-Hydroxy-2,2-dimethylchromen-7-yl)ethanone
218.25
2.7
1
3
46.53
1
Boviquinone 4
412.60
7.2
2
4
74.6
11
5,7-Dihydroxy-8-(7-methoxy-2-oxochromen-8-yl)oxychromen-2-one
368.30
2.7
2
8
119.34
3
Navenone C
240.30
3.6
1
2
37.3
5
(1S,3S,4aS,6aR,6bS,8aR,12aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-1,3-diol
442.70
8.2
2
2
40.46
0
(1R,3S,4aS,6aS,6aR,6bR,8aR,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-1,3-diol
442.70
8.4
2
2
40.46
0
1,3,6-Trihydroxy-2-methoxyxanthen-9-one
274.22
2.4
3
6
100.13
1
Kanzonol W
336.30
3.8
2
5
79.9
1
cyclo[Gly-Leu-Val-Ile-Tyr-Pro]
642.80
3.2
6
7
186.04
7
methyl (4S,4aS,6aR,11aS,11bR)-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
344.40
3.9
1
4
59.67
2
methyl (1S,4aR,4bS,8aR,10aS)-10a-hydroxy-7-(2-hydroxyethyl)-1,4a,8-trimethyl-6-oxo-2,3,4,4b,5,8a,9,10-octahydrophenanthrene-1-carboxylate
364.50
2.2
2
5
83.83
4
[(1R,2E,5R,6R,10S)-5,6-dihydroxy-3-methyl-7-methylidene-10-propan-2-ylcyclodec-2-en-1-yl] acetate
296.40
2
2
4
66.76
3
[(1R,2E,5R,6E,10S)-5-hydroxy-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-yl] acetate
280.40
2.9
1
3
46.53
3
[(1R,2E,8S,10R,11S)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate
354.40
-1.5
3
8
122.52
3
[(4S,4aS,5R,6S,8aR,9aR)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-3-methylsulfanylprop-2-enoate
410.50
2.7
0
7
96.36
6
(2S,4S,4aS,5R,6S,8aR,9aR)-2,4,9a-trimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-6-ol
326.40
1
1
5
57.15
3
(1R,2R,4S,5R,6R,7R,8R,10R,11R)-5,6,8-trihydroxy-5,11-dimethyl-13-oxapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-12-one
350.40
1.3
3
5
86.99
0
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-3-acetyloxy-2,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
450.50
1.1
3
8
130.36
4
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-2,3-diacetyloxy-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
492.60
1.6
2
9
136.43
6
[(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-3-acetyloxy-2,8,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
452.50
0.6
4
8
133.52
4
(+)-15-Beyeren-3-one
286.50
5.7
0
1
17.07
0
5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
418.40
3.4
1
9
105.82
7
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
418.40
2.9
1
9
105.82
7
[(4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl acetate
542.80
7.6
1
5
72.83
5
Garbogiol
328.30
3.8
3
6
100.13
0
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