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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
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-Dihydroxy-6-methyl-5-methylideneheptan-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
462.70
4.6
4
5
97.99
5
Norcapillene
140.18
3.1
0
0
0
2
Artocommunol CD
490.60
8
4
6
111.13
8
[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
524.50
-1.2
6
12
184.6
8
3-[(2R,3R)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid
560.70
7.7
2
6
100.9
11
[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
599.50
1.2
8
15
256.69
10
[(2R,3S,4R,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
599.50
1.2
8
15
256.69
10
Thyrsiferol
605.60
3.6
3
7
97.61
7
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4S,5R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,9-dimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
660.70
0
9
14
236.06
8
[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate
700.80
4
1
13
178.03
13
Monoanhydrobacterioruberin
723.10
15
3
3
60.69
21
Celogentin C
1027.20
1.1
11
12
359.32
11
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-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-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4-dimethoxybenzoate
1227.30
0.6
11
26
384.5
22
(5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone
128.13
0
1
3
46.53
1
1,6-Octadiene, 3,3,7-trimethyl-
152.28
4.7
0
0
0
4
(-)-1,2-Campholide
168.23
2
0
2
26.3
0
(Z)-6-Nonenoic acid methyl ester
170.25
3.2
0
2
26.3
7
(+)-Shikimic acid
174.15
-1.7
4
5
97.99
1
(4AS,8aR)-5,5,8a-trimethyloctahydronaphthalen-2(1H)-one
194.31
3.5
0
1
17.07
0
2-Hydroxy-6,7-dimethoxybenzoxazole
195.17
1.1
1
4
64.46
2
10-Epizonarene
204.35
4
0
0
0
1
(+)-Isoitalicene
204.35
4.6
0
0
0
0
3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
206.24
0.5
3
3
61.36
3
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)(113C)prop-2-enal
209.20
1.4
1
4
55.76
4
(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carbaldehyde
220.35
4.2
0
1
17.07
1
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