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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-[7-Methoxy-3-(2-methylbut-3-en-2-yl)-2-oxochromen-6-yl]acetaldehyde
286.32
3.2
0
4
56.51
5
anisocoumarin B
246.26
3
1
4
59.67
3
2-(2-Hydroxypropan-2-yl)-6-[2-(oxiran-2-yl)propan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
330.40
2.8
1
5
72.2
3
6-(3,4-Dihydroxy-2-methylbutan-2-yl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
348.40
1.8
3
6
100.13
4
6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
346.40
3.4
2
5
79.9
6
gerontoxanthone B
394.40
5.3
3
6
100.13
2
Artobilichromene
436.50
5.2
4
7
120.36
3
(3S,4S,5S,9R,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.5
1
1
20.23
5
2-Hydroxy-1-methoxy-7-methylanthracene-9,10-dione
268.26
2.8
1
4
63.6
1
Quercetin 3,5,3',4'-tetramethyl ether
358.30
2.9
1
7
87.36
5
Undeca-2z-ene-8,10-diynoic isobutylamide
231.33
3.6
1
1
29.1
8
(2E)-N-(2-Methylbutyl)-2-undecene-8,10-diynamide
245.36
4
1
1
29.1
9
(E)-N-(2-methylbutyl)dodec-2-en-8,10-diynamide
259.40
4.5
1
1
29.1
9
(2E,9Z)-N-(2-methylpropyl)pentadeca-2,9-dien-12,14-diynamide
285.40
5.1
1
1
29.1
11
(2E,9Z)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
299.40
5.6
1
1
29.1
11
13-Hydroperoxyoctadeca-9,11-dienoic acid
312.40
5.4
2
4
66.76
15
1-Tetradecene
196.37
7.9
0
0
0
11
6-Tridecyne
180.33
6.1
0
0
0
7
1,3-Dibromopentane
229.94
3.1
0
0
0
3
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxyoxane-3,4,5-triol
345.34
-2.1
5
9
141.73
6
3,4,5-Trihydroxybenzyl methyl ether
170.16
0.5
3
4
69.92
2
2-Methylsulfonylmethyl-3,4,5-trihydroxybenzyl methyl ether
262.28
-0.3
3
6
112.44
4
14-Hydroxycodeine
315.40
0.1
2
5
62.16
1
[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-9-(furan-3-yl)-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] propanoate
558.60
2.4
1
10
141.87
7
3-O-Acetylswietenolide
528.60
2.3
1
9
129.34
6
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