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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
5,7-Dihydroxy-4-methylphthalide
180.16
1.6
2
4
66.76
0
1-Methylpyrrole-2-carboxaldehyde
109.13
0.5
0
1
22
1
8-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
548.50
-1.8
8
13
219.74
6
2-Acetylfuran
110.11
0.5
0
2
30.21
1
Gymnopusin
300.30
3.6
2
5
68.15
3
Acidissiminol
393.50
5.4
2
3
58.56
10
Iriskumaonin methyl ether
356.30
2.9
0
7
76.36
4
Squarrosin
342.30
3.1
1
7
87.36
3
(1S,8R,9S,12R,13R,15S,17R)-8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10,14-trioxapentacyclo[7.7.1.02,7.012,17.013,15]heptadeca-2,6-diene-4,11-dione
346.40
0.7
1
6
89.27
1
2-alpha-Hydroxynagilactone
332.40
1.8
1
5
72.83
1
NCGC00384848-01_C21H36O10_2-[3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2-oxodecahydro-5-azulenyl]-2-propanyl hexopyranoside
448.50
-2.2
7
10
177.14
5
Atractyloside B
450.50
-2.2
8
10
180.3
5
2-[2-(6-Hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
400.50
0.8
5
7
119.61
4
2-[[8a-Methyl-4-methylidene-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
562.60
-0.8
8
12
198.76
7
2-[2-[6-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
694.80
-2.6
10
16
257.68
10
2-[2-(6,7-Dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
-0.3
6
8
139.84
4
(2R,3R,4aR,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalene-2,3-diol
254.36
1.3
3
3
60.69
1
4,8a-Dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
576.60
-1.4
8
13
215.83
7
5-Methyl-1H-pyrrole-2-carbaldehyde
109.13
0.9
1
1
32.86
1
11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal
326.50
5.2
1
2
37.3
6
3-Methyl-2-cyclohexen-1-one
110.15
0.8
0
1
17.07
0
14-Eicosenoic acid
310.50
7.6
1
2
37.3
17
2-Acetyl-5-methylfuran
124.14
1.4
0
2
30.21
1
4-Hydroxybenzyl
107.13
1.9
1
1
20.23
0
Cryptocapsin
568.90
11.9
1
2
37.3
11
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