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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
Carbazoquinocin C
309.40
5.1
1
2
49.93
6
1,3,5-Trihydroxy-4-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
312.30
4.4
3
5
90.9
2
(2S)-5,7-Dimethoxy-8-formylflavanone
312.30
2.3
0
5
61.83
4
3,3',4,5'-Tetrahydroxy-5-prenylbibenzyl
314.40
4.6
4
4
80.92
5
(3S,5S)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
316.40
3.3
4
4
80.92
8
helioscopinolide B
316.40
3.2
1
3
46.53
0
Sollasin D
316.40
5.3
0
3
39.44
5
2-Methyl-2-butenal
84.12
0.9
0
1
17.07
1
Shinpterocarpin
322.40
3.6
1
4
47.92
0
Preracemosol B
326.40
4.4
3
4
69.92
3
2,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-3,10-diol
327.40
2.6
2
5
62.16
2
13-Hydroxy-12-methoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11(19),12,14-hexaene-9,16-dione
328.23
2
1
8
108.34
1
1-[3-methoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
328.31
-1.4
4
8
125.68
5
(2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone
328.30
2.7
0
6
63.22
3
Piperogalin
328.50
7.3
2
2
40.46
7
(2R,3R)-2-(Benzo[d][1,3]dioxol-5-yl)-5,7-dimethoxychroman-3-ol
330.30
2.6
1
6
66.38
3
[(3aR,4R,5E,7Z,10Z,11aR)-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,9,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate
330.40
2.7
0
5
69.67
4
(3aR,6E,10Z,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
330.40
2.7
1
4
63.6
1
R-Coluteol
332.30
2.9
2
6
77.38
4
(1S,2R,10R,11R,12R,13R,16R)-12-hydroxy-2,6,10,16-tetramethyl-9,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadeca-4,6-diene-3,8,15-trione
332.30
0.2
1
6
89.9
0
[(9Z)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
332.40
3.9
2
4
66.76
13
Bavachinin
338.40
4.4
1
4
55.76
4
2'-Hydroxy-2,3,4',6'-tetramethoxychalcone
344.40
3.8
1
6
74.22
7
3',5,5',7-Tetrahydroxy-4',6-dimethoxyflavone
346.30
2.3
4
8
129.59
3
[(4S,6aR,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
346.40
0.6
2
6
93.06
4
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