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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-Allyl-4,5-dimethoxyphenol
194.23
2.6
1
3
38.69
4
beta-Cuparenone
216.32
3.5
0
1
17.07
1
2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
218.33
3.5
1
1
20.23
1
(1R,7S,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-6-one
218.33
3.5
0
1
17.07
0
Sescandelin
222.19
0.8
3
5
90.9
1
(2E,6E)-hedycaryol
222.37
3.1
1
1
20.23
1
CID 10998704
226.23
0.8
0
5
53.99
2
(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
232.23
0.7
2
4
66.76
3
3-[(2R,4S)-2-pyridin-3-ylpiperidin-4-yl]pyridine
239.32
1.4
1
3
37.81
2
Mukonidine
241.24
3.4
2
3
62.32
2
1-Methoxy-9h-pyrido[3,4-b]indole-3-carboxylic acid
242.23
2.5
2
4
75.21
2
5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,13,15(19),16-heptaene
249.26
3.1
0
2
23.39
0
(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-one
249.39
4.8
0
1
20.31
8
Conocarpan
266.30
4.4
1
2
29.46
2
Sulfurous Acid
82.08
-0.5
2
4
76.74
0
Sterehirsutinol
268.31
4.5
3
3
60.69
5
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
274.35
3.9
1
3
42.6
7
Artemisitene
280.32
2.7
0
5
53.99
0
(9Z,12Z)-Ethyl octadeca-9,12-dienoate
308.50
7.3
0
2
26.3
16
CID 11001392
310.30
0.3
0
4
52.6
0
Sinensol G
310.40
5
2
3
49.69
3
(3E,5R,8S,11E,13R,16S)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
312.36
1.4
2
6
93.06
0
(1R,2R,4aS,4bR,6S,7S,10aS)-7-ethenyl-2,6-dihydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
318.40
3.3
2
3
57.53
2
CID 11001876
324.40
2.1
2
3
48.49
2
(S)-8,8-Dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-9-yl 2-methylbutanoate
330.40
3.9
0
5
65.74
4
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