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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
7-Oxostigmasterol
426.70
7.5
1
2
37.3
5
Pubadysone
326.40
2.7
1
3
46.53
0
Pubamide
341.40
2.1
2
3
66.4
0
1,2-Dithiin
116.20
1.5
0
2
50.6
0
Fupenzic acid
484.70
5.7
3
5
94.83
1
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene
220.29
2.7
0
3
46.7
1
2-Methylglutaric acid
146.14
0.1
2
4
74.6
4
[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] acetate
494.70
7.3
0
4
52.6
2
[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] benzoate
556.80
8.9
0
4
52.6
3
[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] 2-hydroxybenzoate
572.80
9.1
1
5
72.83
3
Epicubenol
222.37
3.7
1
1
20.23
1
Fern-7-ene
410.70
10.5
0
0
0
1
Frameroside
602.60
-0.7
6
15
235.81
13
Quercetin-3-o-beta-d-arabinofuranoside
434.30
1
7
11
190.28
4
[(E,3S)-3,7-dimethyl-8-oxooct-6-enyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
336.50
4.3
0
4
60.44
14
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
320.50
4.9
0
3
43.37
8
(4aS,10aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]peroxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
600.90
11.9
1
4
55.76
5
(4aR)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]peroxy]-10-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
614.90
11.5
2
5
75.99
5
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
432.40
1.2
6
10
170.05
3
7alpha,15-Dihydroxydehydroabietic acid
332.40
2.9
3
4
77.76
2
(3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
264.32
0.9
1
4
63.6
0
(3S,3aR,4S,6aR,8S,9aR,9bR)-4,8-dihydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
264.32
0.5
2
4
66.76
0
Rhodomyrtone
442.50
5.8
2
6
100.9
5
(1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-3a,5a,5b,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
498.70
9.1
1
4
63.6
4
(4S)-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-3-methylideneoxolan-2-one
248.32
3.2
0
3
43.37
5
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