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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
Cimiracemoside K
660.80
4.2
4
10
144.14
5
[(2R,4R,4aS,4bS,5R,6S,7S,8aS,9S,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,9,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
692.70
4.3
3
12
182.96
11
Draconin B
822.90
0.5
6
16
229.36
8
[(2S,3R,4S,5S)-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
901.00
0.5
9
18
280.82
14
3-Methyl crotonic acid
100.12
1.2
1
2
37.3
1
(3S,8S,9S,10R,13S,14S,17R)-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-[(2S,6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
1047.20
-2.1
12
22
350.74
16
(3Z)-3,8-dimethylnona-1,3,7-triene
150.26
4.6
0
0
0
4
alpha,beta-Thujone
152.23
2.3
0
1
17.07
1
Isopinocarveol
152.23
1.8
1
1
20.23
0
3,7-Dimethyloct-1-en-3-yl acetate
198.30
3.6
0
2
26.3
7
(4-methoxy-1H-indol-3-yl)methanamine
176.21
0.9
2
2
51.04
2
3-Aminobutanoic acid
103.12
-3.1
2
3
63.32
2
(3S,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
188.26
0.4
3
3
60.69
5
Sedanonic acid lactone
192.25
3
0
2
26.3
2
2-Pyrrolidinone, 5-[(1,1,2-trimethyl-2-propenyl)dioxy]-
199.25
1.5
1
3
47.56
4
Verimol I
206.24
2.2
0
3
35.53
5
Platyphyllide
214.26
3.3
0
2
26.3
1
(E,6S)-2-methyl-6-(4-methylphenyl)hept-2-en-1-ol
218.33
4.1
1
1
20.23
5
(2R,4aR,5S,8S)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
222.37
3.5
1
1
20.23
1
Cyclohexadecene
222.41
7.9
0
0
0
0
Isodehydrocostus lactone
230.30
2.4
0
2
26.3
0
(4aR,5S,8aR,9aR)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
234.33
3.7
0
2
26.3
0
Methyl tuberonate
240.29
0.7
1
4
63.6
7
z-3-Methylsulfinyloxy-2-propenyl s-butyl disulfide
240.40
2
0
5
96.11
7
2,4-Dimethylthiazole
113.18
1.8
0
2
41.13
0
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