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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
1H-Pyrrolizin-1-ol, hexahydro-7-methylene-, (1R-trans)-
139.19
0.1
1
2
23.47
0
(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
431.70
4.1
3
4
63.93
0
(1R,3E,7E,11R)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
220.35
3.5
0
1
12.53
0
Tricyclohumuladiol
238.37
2.5
2
2
40.46
0
(1-Hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate
216.32
3.1
1
3
46.53
6
Lup-12-en-3-ol, (3beta,18beta,19beta)-
426.70
9
1
1
20.23
1
3-Methylcyclopentanone
98.14
0.8
0
1
17.07
0
7,8-Dihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1,2-dione
246.26
2.4
2
4
74.6
1
nectandrin A
358.40
4.1
1
5
57.15
5
nectandrin-B
344.40
3.7
2
5
68.15
4
(E)-non-1-en-1-ol
142.24
4.4
1
1
20.23
6
7H-Furo(3,2-h)(2)benzopyran-3(2H)-one, 6,9-dihydro-7-hydroxy-7-methyl-2-(1-methylethylidene)-, (7R)-
260.28
2.3
1
4
55.76
0
2-Ethyl-p-xylene
134.22
3.4
0
0
0
1
4-Methyl-5-vinylthiazole
125.19
2.2
0
2
41.13
1
trans-1,3-Dimethylcyclopentane
98.19
3.2
0
0
0
0
Pokeberrygenin
516.70
5.2
3
6
104.06
3
Emeriphenolicin C
447.60
3.6
3
6
97.25
12
CID 156583056
671.90
6
5
7
171.8
11
5-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
328.40
5.2
1
4
47.92
6
SchisanlignaolD
400.40
3.9
1
7
75.61
2
(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-4,5,6,17,18,19-hexahydroxy-13,26-dimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione
624.50
-1
6
16
229.36
2
5-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-((4-methoxy-3-(4-(((6S)-6,7,8,9-tetrahydro-4-methoxy-7-methyl-1,3-dioxolo(4,5-f)isoquinolin-6-yl)methyl)phenoxy)phenyl)methyl)-2-methyl-, (1S)-
668.80
6.5
1
10
91.32
10
Euphorbia factor L7b
580.70
4.6
0
9
122.27
10
Celosin J
1235.30
-1.6
15
28
446.96
13
5-[14-(3,5-Dihydroxyphenyl)tetradec-8-enyl]benzene-1,3-diol
412.60
8.3
4
4
80.92
14
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