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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
4-Penten-2-OL
86.13
1.1
1
1
20.23
2
Pent-3-en-2-one
84.12
0.5
0
1
17.07
1
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-
154.25
2.3
1
1
20.23
1
cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol
154.25
2.3
1
1
20.23
1
1-Methoxy-2-methylpropane
88.15
1.4
0
1
9.23
2
alpha-Cedrene epoxide
220.35
3.9
0
1
12.53
0
2-Nitroethanol
91.07
-0.4
1
3
63.37
1
N-Ethylacetamide
87.12
-0.1
1
1
29.1
1
methyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
470.70
7.8
1
3
46.53
2
4,11,11-Trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol
220.35
3.1
1
1
20.23
0
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.6
1
1
20.23
5
Formamide, N-[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]-
179.22
0.8
2
2
49.33
3
9-Octadecen-12-ynoic acid, methyl ester, (9Z)-
292.50
6.7
0
2
26.3
13
rel-(1R,2R,5R)-2-Methyl-5-(1-methylethenyl)cyclopentanecarboxaldehyde
152.23
2.9
0
1
17.07
2
Ethyl isopropyl ether
88.15
0.9
0
1
9.23
2
Isopropyl formate
88.11
0.9
0
2
26.3
2
3-Hydroxy-2,4-dimethoxybenzaldehyde
182.17
0.8
1
4
55.76
3
2,4-Diethylthiazole
141.24
2.6
0
2
41.13
2
5-Hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
270.28
2.2
2
4
66.76
2
3,5-Dimethyl-2-propylpyrazine
150.22
1.7
0
2
25.78
2
(1S,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
285.40
3.3
1
2
23.47
2
(+)-Pentazocine
285.40
3.3
1
2
23.47
2
2',4',6'-Trihydroxydihydrochalcone
258.27
3
3
4
77.76
4
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol
147.17
-1.9
4
4
72.72
0
Z-Pro-prolinal
330.40
1.7
0
4
66.92
5
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