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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
spicatosideB
722.90
2.5
6
12
176.76
4
Phenylmethyl 6-O-I+/--L-arabinofuranosyl-I(2)-D-glucopyranoside
402.40
-2.2
6
10
158.3
7
Gymnemic acid V
847.00
5.6
7
14
229.74
11
5-(4,5-Dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethylisoquinoline
417.50
6
0
5
49.81
5
5-(4,5-Dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
421.50
5.3
1
5
48.95
5
7-Acetyl-1,7-dihydroxy-3-methoxy-5,6-dihydrocyclohepta[b]quinoline-8,11-dione
329.30
1.2
3
7
116.69
2
Adenosine diphosphate-D-ribose
559.32
-6.1
8
18
311.14
9
methyl (3E,6E)-nona-3,6-dienoate
168.23
2.5
0
2
26.3
6
Puerol A
298.29
2.3
3
5
86.99
3
(3S,4S)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxolan-2-one
522.60
-0.2
6
9
164.75
4
(3S,4S)-4-[(2R,3R)-2,3-dihydroxy-3-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxolan-2-one
506.60
0.6
5
8
144.52
4
1-[1-[2-(2-Hydroxypropoxy)propoxy]propan-2-yloxy]propan-2-ol
250.33
0.1
2
5
68.15
10
Methyl dehydroabietate
314.50
5.9
0
2
26.3
3
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
232.36
3.7
0
1
17.07
0
2'-Hydroxyneobavaisoflavanone
340.40
3.9
3
5
86.99
3
Se-methylselenocysteine
182.09
2
3
63.32
3
(1R)-1-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6,10,11-trione
282.29
1.7
0
4
60.44
0
6Z,9Z-Nonadecadiene
264.50
8.9
0
0
0
14
Octadecanoic acid, trihydroxy-
332.50
5.5
4
5
97.99
16
(Z)-beta-Ocimene epoxide
152.23
2.9
0
1
12.53
3
(2R,3S,4R,5S,6S)-2-[[(3S,8S,9S,10R,13S,14S,16S,17R)-16-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol
560.80
6.2
4
6
99.38
7
(2R,3S,4R,5S,6S)-2-[[(3S,7S,8S,9S,10R,13S,14S,16S,17R)-7,16-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol
576.80
5.1
5
7
119.61
7
(2R,3S,4R,5S,6S)-2-[[(3S,7R,8S,9S,10R,13S,14S,16S,17R)-7,16-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol
576.80
5.1
5
7
119.61
7
methyl (4S)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate
280.36
2.2
0
4
60.44
7
methyl (4R)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate
280.36
2.2
0
4
60.44
7
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