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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
Methyl (1R,2S,7aS)-hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylate
199.25
0.6
1
4
49.77
2
3-Butylisocoumarin
202.25
3.6
0
2
30.21
3
(1R,4R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
204.35
5
0
0
0
1
(-)-Alloaromadendrene
204.35
4.7
0
0
0
0
5,11-Selinadiene
204.35
4.9
0
0
0
1
9(10H)-Acridinone, 1-hydroxy-
211.22
3.6
2
3
53.09
0
Selenite ion
126.97
0
3
63.19
0
(2E,6E)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-one
220.35
3.5
0
1
17.07
1
(1R,2S,4S,7R,10R)-2,7,11,11-tetramethyl-3,12-dioxatetracyclo[8.2.1.01,7.02,4]tridecane
236.35
2.5
0
2
21.76
0
4-[3-(4-Hydroxyphenyl)propyl]resorcinol
244.28
2.9
3
3
60.69
4
2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]prop-2-enoic acid
246.30
2.7
1
3
54.37
2
(3aS,5aR,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
248.32
1.8
1
3
46.53
0
(1S,10S,12S,13R,15R)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
261.36
1.1
1
3
40.54
0
2-(1,3-Benzodioxol-5-yl)quinolin-4(1H)-one
265.26
3
1
4
51.32
1
Sterehirsutinal
266.29
4.8
2
3
57.53
5
[2-(1-Hydroxy-2-methoxypropan-2-yl)-5-methylphenyl] 2-methylpropanoate
266.33
2.3
1
4
55.76
6
(-)-Kaurene
272.50
6.9
0
0
0
0
Benzoic acid, 3,5-bis(acetyloxy)-4-methoxy-, methyl ester
282.25
1.2
0
7
88.13
7
Methyl 4-hydroxy-9,10-dioxoanthracene-2-carboxylate
282.25
3.4
1
5
80.67
2
1-O-Methylnataloe-emodin
284.26
3
2
5
83.83
1
3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one
291.34
0.8
2
4
71.69
4
(5S)-2,5-Dihydro-5-methyl-2-oxo-3-furantridecanal
294.40
5.6
0
3
43.37
13
(1S,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-ol
306.50
4.6
2
2
40.46
4
salvianolic acid F
314.29
2.7
5
6
118.22
4
Suregadolide B
314.40
3.4
0
3
38.83
0
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