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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
Isowertin 2''-rhamnoside
592.50
-0.6
8
14
228.97
6
Isovitexin2''-O-arabinoside
564.50
-1.3
9
14
239.97
5
1-[2,4-dimethoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
358.34
-0.9
4
9
134.91
6
1-[2,6-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
358.34
-0.9
4
9
134.91
6
12a-Hydroxymunduserone
358.30
2
1
7
83.45
3
6-Hydroxysumatrol
426.40
3.8
2
8
103.68
3
Villinol
438.40
4.2
1
8
96.59
4
4-[2-[(2S,6R)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
298.40
4.1
2
3
49.69
4
7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene
300.30
2.7
2
5
68.15
3
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
231.33
3.6
0
1
20.31
5
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
231.33
3.6
0
1
20.31
5
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
301.40
5
1
2
38.33
10
(2E,4E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4-dien-1-one
233.35
4.1
0
1
20.31
6
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
231.33
3.2
0
1
20.31
5
(2E,4E,6E,8E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6,8-tetraen-1-one
229.32
3.3
0
1
20.31
4
(2E,4E,8Z)-N-Isobutyldeca-2,4,8-trienamide
221.34
3.6
1
1
29.1
7
(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]deca-2,4-dienamide
287.40
4.7
2
2
49.33
9
(2E,4E)-1-(3,4-dihydro-2H-pyridin-1-yl)undeca-2,4-dien-8,10-diyn-1-one
239.31
2.9
0
1
20.31
5
(2E,4E,12E)-N-(2-methylpropyl)tetradeca-2,4,12-trien-8,10-diynamide
269.40
4.4
1
1
29.1
7
Noricaritin
372.40
3.1
5
7
131.36
4
5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
638.60
-0.8
8
16
247.43
8
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
594.50
-1.4
10
15
260.2
6
2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-Benzopyran-4-one
610.50
-1.7
11
16
280.43
6
7-Methoxy-6-(1-methoxyethyl)-2,2-dimethyl-2H-1-benzopyran
248.32
2.9
0
3
27.69
3
6-(1-Ethoxyethyl)-7-methoxy-2,2-dimethyl-2H-1-benzopyran
262.34
3.2
0
3
27.69
4
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