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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
[(8S,9R,10S)-10-acetyloxy-9-hydroxyheptadec-1-en-11,13-diyn-8-yl] acetate
362.50
4.4
1
5
72.83
14
4-Acetyl-3-methylpyridine
135.16
0.9
0
2
29.96
1
Methyl 2-[4,5,8-trihydroxy-9,10-dioxo-3-(3-oxopentyl)anthracen-2-yl]acetate
412.40
3.1
3
8
138.2
7
(1S,4R)-7,8-Dihydroxycalamenene
234.33
4.4
2
2
40.46
1
methyl 2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enoate
260.33
3
0
3
43.37
3
(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
318.40
4.2
2
3
57.53
2
(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
334.28
1.5
5
8
136.68
2
Mucrolidin
256.38
2
3
3
60.69
1
Aristolactam AII
265.26
3
2
3
58.56
1
3,16,20-Trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraene-17-carbaldehyde
338.40
2.2
0
3
34.47
1
(20alpha)-21beta-Methyl-18-nor-19-oxo-20,21-dihydroalstphyllan
338.40
2.2
0
3
34.47
1
1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-4-methylcyclohexa-1,4-diene
202.33
3.9
0
0
0
1
6beta-Hydroxyeremophilenolide
250.33
2.6
1
3
46.53
0
CID 14866182
524.60
-0.8
3
11
165.89
6
[(1R,2R,3R,5S,6R,9R,10R,11R,13S,14S,16R,19S)-19-acetyloxy-2,5,10,11-tetrahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.03,9.06,10.016,19]nonadecan-14-yl] acetate
498.50
-1.8
4
11
169.05
4
[(1R,2R,3R,5S,6R,9R,10R,11R,13S,14S,16R,19S)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.03,9.06,10.016,19]nonadecan-14-yl] acetate
456.50
-2.4
5
10
162.98
2
(1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bR)-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-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-3a,8-dicarboxylic acid
502.70
6.1
4
6
115.06
3
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid
196.20
1.1
2
4
66.76
4
2,3-Dihydroxypropyl dodecanoate
274.40
4.2
2
4
66.76
14
(S)-6-(2-(beta-D-Glucopyranosyloxy)ethyl)-2,3-dihydro-5-(hydroxymethyl)-2,7-dimethyl-1H-inden-1-one
396.40
-0.3
5
8
136.68
6
5,6,7-Trimethoxycoumarin
236.22
1.8
0
5
57.9
3
Aristolactam II
263.25
3.1
1
3
47.56
0
7,8-dihydroimidazo[1,5-c]pyrimidin-5(6H)-one
137.14
-0.2
1
2
46.92
0
O-Methylptelefolonium
316.40
3.9
0
4
40.8
4
1,2-Dihydrophenanthrene
180.24
4.3
0
0
0
0
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