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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
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
516.70
3.4
2
7
94.45
4
(4S)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
168.23
1.1
1
2
37.3
1
Swainsonine N-oxide
189.21
-1.8
3
4
83.75
0
(7-Hydroxy-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-yl)methyl hexadecanoate
554.80
11.2
1
4
59.67
17
2-[(E)-3-Phenylprop-2-enoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
428.40
-2
6
10
158.3
7
Pterosupin
436.40
-0.6
8
10
188.14
6
2-Methylnonane
142.28
5.3
0
0
0
6
1-Decene
140.27
5.7
0
0
0
7
5-Methyl-4-hexanolide
128.17
1.6
0
2
26.3
1
Chikusetsusaponin Ia
755.00
3.5
8
12
198.76
9
2-Butoxy-2,5-bis(hydroxymethyl)-tetrahydrofurane-3,4-diol
236.26
-0.5
4
6
99.38
6
Butyl fructofuranoside
236.26
-0.5
4
6
99.38
6
n-Butyl |A-D-fructofuranoside
236.26
-0.5
4
6
99.38
6
Liconeolignan
354.40
5.1
2
5
72.06
5
Methylpyrrolidone
99.13
-0.5
0
1
20.31
0
(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
476.70
6.2
4
4
80.92
4
2-(hydroxymethyl)-6-[6-methyl-2-(2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-5-en-2-yl]oxyoxane-3,4,5-triol
638.90
4.6
7
9
160.07
7
2-Ethylthiophene
112.19
2.9
0
1
28.24
1
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)-, (Z)-
362.50
7
1
4
63.6
14
2-Butyl-3-methyl-Pyrazine
478.70
4.7
4
6
107.22
5
Michefucscalide
306.40
1.4
1
5
72.83
2
[(2R)-3-carboxy-2-(propanoylamino)propyl]-trimethylazanium
217.29
-0.4
2
3
66.4
6
[(2R)-2-(butanoylamino)-3-carboxypropyl]-trimethylazanium
231.31
0
2
3
66.4
7
3,3,5-Trimethylcyclohexanone
140.22
2.2
0
1
17.07
0
methyl (2E,4E,6E)-7-phenyl-2,4,6-heptatrienoate
214.26
3.9
0
2
26.3
5
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