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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
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trimethoxybenzoate
1419.50
-1.6
14
32
472.88
26
Agsfisnxcbmplz-jmocgyexsa-
1445.30
-1
15
35
519.41
31
(S)-3,4-Dihydroxybutyric acid
120.10
-1.6
3
4
77.76
3
(1R,3S,5S,6R)-8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol
157.21
-0.2
2
3
43.7
0
4-((3-Methylbut-2-en-1-yl)oxy)benzaldehyde
190.24
2.9
0
2
26.3
4
3-(3,4-Dimethoxyphenyl)propanal
194.23
1.1
0
3
35.53
5
1-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propan-1-one
196.29
1.8
1
2
37.3
2
(3S,4aR,5R)-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
218.33
3.1
0
1
17.07
1
Isocostic acid
234.33
3.6
1
2
37.3
2
Artemisinic acid
234.33
3.8
1
2
37.3
2
(3S,4R,5R)-2-butoxy-2-(hydroxymethyl)oxane-3,4,5-triol
236.26
-1
4
6
99.38
5
Dendocarbin H
248.32
3.7
0
3
43.37
0
(1R,3aR,4R,7aS)-1-(2-methoxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
252.39
2.9
1
2
29.46
3
(6S,7R,8E)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
260.33
2.8
0
3
39.44
1
2-Hexyl-1,6,11-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-5-one
261.36
2.4
0
2
38.13
5
methyl (4R)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
266.38
3.5
0
3
43.37
7
1-[(3R,3aR,6aR,7S,9aR,9bS)-5,9a-dimethyl-7-propan-2-yl-1,2,3,3a,4,6a,7,8,9,9b-decahydrocyclopenta[e]azulen-3-yl]ethanone
288.50
5.1
0
1
17.07
2
1beta,6alpha-Dihydroxycostic acid ethyl ester
294.40
2
2
4
66.76
4
(2S)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]butan-1-ol
298.40
3.2
2
2
39.26
3
4,7,8-Trihydroxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one
308.30
3
3
5
86.99
1
3,4,5-Triacetoxybenzoic acid methyl ester
310.26
1
0
8
105.2
8
Edgeworin
322.30
3.3
1
6
89.88
2
(1S,5S,6R,8aS)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-3-oxo-6,7,8,8a-tetrahydro-2H-naphthalene-1-carboxylic acid
334.40
2.9
2
4
74.6
5
alpha-D-galactopyranosyl alpha-D-galactopyranoside
342.30
-4.2
8
11
189.53
4
(8R,9S,10R,13S,14S,17E)-17-(1-methoxyethylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
342.50
3.7
0
3
43.37
1
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