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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
(2E)-3-[(2S,3S)-2-(3,4-Dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-benzofuranyl]-2-propen-1-ol
356.40
3.5
1
5
57.15
6
Fragransol D
370.40
3.3
1
6
66.38
5
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propan-1-ol
404.50
2.8
2
7
86.61
10
16-Feruloyloxypalmitic acid
448.60
7.8
2
6
93.06
20
boeravinone A
326.30
2.9
2
6
89.13
1
boeravinone B
312.27
2.4
3
6
100.13
0
3-(2,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
312.30
3.1
0
5
57.9
4
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
1
6
12
188.51
6
Maximaisoflavone E
312.27
2.6
1
6
78.13
2
7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
326.30
2.9
0
6
67.13
3
Egonol Acetate
368.40
4.3
0
6
67.13
7
2-[3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
488.50
2.1
4
10
140.21
8
Magnoloside B
786.70
-2.1
12
20
324.44
14
Magnoloside C
948.90
-4.2
15
25
403.59
17
(2S,3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-ol
386.40
3.4
1
7
75.61
5
(Z)-3-Hydroxy-5-methoxystilbene
226.27
3.8
1
2
29.46
3
(1S,4R,5S,8R,9S,12R,14R)-4,8,12-trimethyl-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one
250.33
2.7
0
3
38.83
0
methyl (1S,2S,4aS,6aR,6aS,6bR,8aR,10S,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-carboxylate
470.70
7.7
1
3
46.53
2
(1S,4S,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
238.37
3.3
2
2
40.46
1
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
650.80
3.2
7
10
177.14
4
kaji-ichigoside F1
650.80
3.2
7
10
177.14
4
10-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
899.10
0.5
9
17
263.75
8
Cyclopenta[c]pyran-1(3H)-one, 6-(beta-D-glucopyranosyloxy)hexahydro-4,7-dimethyl-, (4R,4aR,6R,7R,7aS)-
346.37
-0.4
4
8
125.68
3
4-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
342.34
-0.9
5
8
136.68
6
(3S,3aR,4S,6E,10E,11aR)-4-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
250.33
2
1
3
46.53
0
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