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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
2-(3-Oxoprop-1-en-1-yl)phenyl benzoate
252.26
3.2
0
3
43.37
5
2,6,4'-Trihydroxy-4-methoxybenzophenone
260.24
2.7
3
5
86.99
3
(3S,10S)-panaxydiol
260.40
4.3
2
2
40.46
9
Pentacosanoic acid
382.70
11.2
1
2
37.3
23
Nardoperoxide
266.33
1
1
4
55.76
1
(E)-3-(2,6-dihydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
270.28
3
2
4
66.76
4
Pummeline
271.27
2.9
2
5
71.69
1
8,10,12-Octadecatriynoic acid
272.40
5.9
1
2
37.3
11
Perilloxin
274.31
2.5
1
4
47.92
2
6-(3-Heptyloxiran-2-yl)-1-(oxiran-2-yl)hexa-2,4-diyn-1-one
274.35
4.1
0
3
42.13
9
Hexacosanoic acid
396.70
11.8
1
2
37.3
24
1,3-Dihydroxy-8-methoxy-6-methylanthracene-9,10-dione
284.26
3
2
5
83.83
1
Methyl 3-(4-formylphenoxy)-4-methoxybenzoate
286.28
3
0
5
61.83
6
Syn-copalol
290.50
6.1
1
1
20.23
4
Pareitropone
291.30
2.2
0
4
48.42
2
Vellosiminol
294.40
2.1
2
2
39.26
1
(1E,4E)-1-(4-Hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1,4-pentadien-3-one
296.30
3.5
2
4
66.76
5
(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol
296.40
2.9
2
3
45.15
5
Voaphylline
296.40
3.3
1
2
31.56
1
Octacosanoic acid
424.70
12.9
1
2
37.3
26
Aglaithioduline
306.40
1.9
2
3
83.5
9
Kaempferol 3,5-dimethyl ether
314.29
2.6
2
6
89.13
3
Triacontanoic acid
452.80
13.9
1
2
37.3
28
Chloromycorrhizinol A
317.20
3.6
2
4
62.83
0
Paeonilactone C
318.32
1.2
1
6
89.9
4
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