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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
Epioritin-4beta-ol
290.27
0.7
5
6
110.38
1
Thujol
154.25
2.6
1
1
20.23
1
Neo-3-Thujol
154.25
2.6
1
1
20.23
1
(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
154.25
2.6
1
1
20.23
1
(+)-Thujan-3-ol
154.25
2.6
1
1
20.23
1
Thujyl alcohol
154.25
2.6
1
1
20.23
1
(+)-alpha-Thujone
152.23
2.3
0
1
17.07
1
alpha-Thujone
152.23
2.3
0
1
17.07
1
(2R,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
488.70
5.3
4
5
97.99
2
Jamaicin
378.40
3.9
0
6
67.13
2
Jasmolin I
330.50
5.4
0
3
43.37
7
[(1S)-2-methyl-4-oxo-3-[(E)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
330.50
5.4
0
3
43.37
7
Jasmolin II
374.50
4.5
0
5
69.67
9
[(1S)-2-methyl-4-oxo-3-[(E)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
374.50
4.5
0
5
69.67
9
(Z,S)-jasmololone
180.24
1.1
1
2
37.3
3
Luteolin 4'-glucoside
448.40
0.5
7
11
190.28
4
Luteolin-4'-glucoside
448.40
0.5
7
11
190.28
4
5-Prop-1-ynylthiophene-2-carboxylic acid
166.20
2.3
1
3
65.54
2
(1S,2R,7S,8S,9S)-2,6,6,9-Tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
222.37
4.5
1
1
20.23
0
Jurubidine
415.70
6.2
1
3
44.48
0
Jurubin
595.80
3.6
6
9
154.86
7
Juzunol
300.26
2.3
3
6
104.06
2
(1S,4S,9S,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
272.50
6.9
0
0
0
0
(4R,9R,10S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
272.50
6.9
0
0
0
0
(1R,4S,9S,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
272.50
6.9
0
0
0
0
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