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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
1-Methoxy-4-cadinene
236.39
4.2
0
1
9.23
2
5-Methoxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-9,10-dione
272.29
2
0
4
52.6
1
2,3-Octanedione
142.20
1.5
0
2
34.14
5
(2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
288.25
1.8
4
6
107.22
1
[(1R,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]methanol
290.50
5.7
1
1
20.23
1
2',4'-Dihydroxy-4,6'-dimethoxychalcone
300.30
3.5
2
5
75.99
5
Trimethylamine oxide
75.11
-0.3
0
1
23.06
0
3-tert-Butylphenol
150.22
3.3
1
1
20.23
1
(4R,4aS,7R,10aR,11bR)-7-hydroxy-4-(hydroxymethyl)-4,8,11b-trimethyl-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
332.40
1.9
2
4
66.76
1
Luteoforol
290.27
1.3
5
6
110.38
1
4,4,6-Trimethylcyclohex-2-en-1-one
138.21
2.3
0
1
17.07
0
Neocaesalpin E
348.50
3.4
1
4
55.76
1
(2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate
356.50
6.5
2
4
66.76
19
(+)-Matairesinol
358.40
3.3
2
6
85.22
6
(4R)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one
362.50
3.8
2
5
91.67
8
3-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
368.40
3.6
2
6
89.13
2
(E)-1-[2,4-dihydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
370.40
3.8
4
6
107.22
7
2-Hydroxydodecyl methacrylate
270.41
5.6
1
3
46.53
13
1-(1-Ethoxyethoxy)pentane
160.25
2.6
0
2
18.46
7
CID 11452543
407.50
0.4
3
6
82.39
4
Haloxyline B
435.70
8
2
3
60.77
19
3-Ethylcyclopentane-1,2-dione
126.15
0.5
0
2
34.14
1
alpha-Onocerin
442.70
7.4
2
2
40.46
3
(6R,7S,9R,10S)-7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),11(16),12,14-hexaene-3,13-diol
452.50
4.8
4
6
103.29
2
[(3R,4aR,6S,6aS,8R,9S,10aS,10bS)-8-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-9-yl] acetate
452.50
1.6
2
8
119.36
5
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