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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
Lilac aldehyde
168.23
1.5
0
2
26.3
3
Aurasperone D
556.50
6
3
10
148.8
4
Aurantio-obtusin
330.29
2.7
3
7
113.29
2
(2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate
135.19
-0.5
1
3
53.94
3
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbaldehyde
440.70
7.3
1
2
37.3
1
2-Hydroxy-7-methoxycadalene
244.33
4.6
1
2
29.46
2
L-Turicine
159.18
0.1
1
3
60.36
0
Ethylcyclohexane
112.21
4
0
0
0
1
Ethyl sorbate
140.18
1.9
0
2
26.3
4
[(8E,10E,12E,14R)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl] acetate
300.40
3.9
1
3
46.53
10
Propylcyclohexane
126.24
4.6
0
0
0
2
2(6H)-Benzofuranone, 7,7a-dihydro-6-hydroxy-, (6S,7aR)-
152.15
-0.1
1
3
46.53
0
Glycosolone
273.33
2.8
1
3
51.46
3
Butylcyclohexane
140.27
5.1
0
0
0
3
Auraptene
298.40
5.3
0
3
39.44
6
1,2,3-Trimethylcyclohexane
126.24
4
0
0
0
0
(5R,9R,10R,13S,14S,17S)-17-[(E,2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]but-3-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
438.70
7
0
2
29.6
3
Dihydroamoorinin
472.60
3.5
1
7
98.5
5
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicene-4a-carboxylic acid
488.70
5.6
4
5
97.99
2
CID 15508395
596.70
5.6
0
6
77.54
7
Pipercyclobutanamide A(rel)
570.70
4.9
0
6
77.54
6
Cinnamonitrile
129.16
2
0
1
23.79
1
(2S)-2-ethylhexanal
128.21
2.6
0
1
17.07
5
alpha-Hexylcinnamaldehyde
216.32
4.8
0
1
17.07
7
Cinnamyl cinnamate
264.30
4.4
0
2
26.3
6
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