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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
[(3S,4aS,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.7
0
2
26.3
2
Campesteryl acetate
442.70
9.4
0
2
26.3
7
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
442.70
9.4
0
2
26.3
7
2-Heptadeca-8,11,14-trienyl-6-hydroxybenzoic acid
370.50
8.3
2
3
57.53
14
Salvinone
268.30
5.3
1
2
37.3
1
[(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
468.80
10.3
0
2
26.3
6
Cycloartenol acetate
468.80
10.3
0
2
26.3
6
1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
286.28
3.1
3
5
86.99
4
3-Chloro-4-(3-chloro-4-fluoro-2-nitrophenyl)-1H-pyrrole
275.06
3.5
1
3
58.93
1
Ethyl 2-hydroxy-3-methylpentanoate
160.21
1.6
1
3
46.53
5
Mallorepine
134.14
0.2
0
3
45.79
0
Acrylophenone
132.16
1.9
0
1
17.07
2
(1S,3S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
375.50
3.9
0
5
55.84
2
2-Hydroxy-2-phenylpropanoic acid
166.17
1
2
3
57.53
2
2-Methyl-1-phenylpropene
132.20
3.8
0
0
0
1
Rollinone
622.90
9.4
2
7
102.29
25
4-Phenyl-1-butene
132.20
3.3
0
0
0
3
6-Hydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
296.30
4.2
1
4
59.67
4
[(1S,6R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
616.80
6.5
3
8
130.36
17
Azukisaponin VI
1135.20
-0.6
15
25
411.43
14
Vinyl benzoate
148.16
2.3
0
2
26.3
3
3,6-anhydro-alpha-D-galactose
162.14
-2.1
3
5
79.15
0
24-epi-Castasterone
464.70
4.7
4
5
97.99
5
(2R,3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
464.70
4.7
4
5
97.99
5
(2R,3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
464.70
4.7
4
5
97.99
5
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