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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
(2-Hydroxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
262.26
1.3
2
5
83.83
4
Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-13-methyl-
334.30
3.9
0
4
40.8
0
(1aR,3aR,4R,5R,5'R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethylspiro[2,3,5,6-tetrahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-dione
360.40
0.9
1
6
89.27
1
[(1S,2S,3S,6R)-2-[(3R)-3-[(3R,5R)-5-(furan-3-yl)-2-oxooxolan-3-yl]butyl]-1,2-dimethyl-7-oxabicyclo[4.1.0]heptan-3-yl] (Z)-2-methylbut-2-enoate
430.50
4.7
0
6
78.27
8
[(3R,4R,5R,6R)-4,5-dihydroxy-6-[5-[4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentoxy]oxan-3-yl] (E)-2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate
586.80
6
3
7
105.45
15
Dammara-20(21),24-diene-3-one
424.70
9.6
0
1
17.07
4
(1S,2R,4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-11-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
470.70
6.5
2
4
74.6
1
[3,6,9-Trimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
558.60
0.6
5
11
172.21
7
3a-hydroxy-3,5a,9-trimethyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one
428.50
-1.1
5
9
145.91
3
Sphaeranthanolide
428.50
-1.1
5
9
145.91
3
3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-3-yl)-3-oxobutyl]oxolan-2-one
278.30
1.6
0
5
69.67
5
(1S,2S,6S,7S,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
556.60
0.8
5
11
164.37
5
[(3aR,4R,5S,5aS,6S,8R,8aS,9R,9aS)-9-acetyloxy-4,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] (Z)-2-methylbut-2-enoate
422.50
2.1
2
8
119.36
5
[(1R,2R,7R,9R,10R,12S)-1,2,5-Trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate
292.40
1.8
0
4
48.06
2
2-methoxy-4-[(E)-2-[(2R)-pyrrolidin-2-yl]ethenyl]phenol
219.28
2.2
2
3
41.49
3
1-(1,3-Benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone
261.32
2.2
0
4
38.77
4
4,6-O-Benzylidene-D-glucose
268.26
-0.4
3
6
96.22
4
1,7-Bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
308.30
3.3
2
4
74.6
6
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-
286.28
2
2
5
75.99
2
Kaempferol-3-O-arabinoside
418.30
0.8
6
10
170.05
3
Kaempferol 3-alpha-D-arabinopyranoside
418.30
0.8
6
10
170.05
3
[4-[2-[[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl] acetate
397.40
2.3
1
6
90.93
10
Ergosta-4,24(28)-dien-3-one
396.60
8.6
0
1
17.07
5
Ergobalansine
521.60
1.5
4
6
127
4
(6aR,9S)-N-[(2R,5S,8S,8aS)-8a-hydroxy-2,8-dimethyl-5-(2-methylpropyl)-3,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[3,2-a]pyrazin-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
521.60
1.5
4
6
127
4
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