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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
(4R)-4-(4-methylphenyl)pentanal
176.25
2.7
0
1
17.07
4
Methyl 2-[4-(1-methoxyindol-3-yl)butanoylamino]benzoate
366.40
4.2
1
4
69.56
8
Methyl 3-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
338.40
3
1
4
69.56
6
Methyl 2-[(2-indolin-3-ylacetyl)amino]benzoate
310.30
2.9
2
4
67.43
5
3-(3-Chloro-4-pyridyl)-1-(1-propoxyindol-3-yl)propane-1,2-dione
356.80
3.8
0
4
61.19
7
1-Propoxy-3-(4-pyridylmethyl)indole
266.34
4.1
0
2
27.05
5
Methyl 2-[[2-(1-propoxyindol-3-yl)acetyl]amino]benzoate
366.40
4.5
1
4
69.56
8
3-(3-Chloro-4-pyridyl)-1-hydroxy-1-(1-propoxyindol-3-yl)propan-2-one
358.80
3.5
1
4
64.35
7
7-Methoxy-2,2-dimethyl-pyrano[3,2-g]chromen-8-one
258.27
3
0
4
48.67
1
Methyl 2-[[2-(1-hydroxyindol-3-yl)acetyl]amino]benzoate
324.30
3.3
2
4
80.56
5
Methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
338.40
3
1
4
69.56
6
3-[(3-Chloro-4-pyridyl)methyl]-1-propoxy-indole
300.80
4.8
0
2
27.05
5
Methyl 2-[[2-(1-ethoxyindol-3-yl)acetyl]amino]benzoate
352.40
3.9
1
4
69.56
7
3-[(3,5-Dichloro-4-pyridyl)methyl]-1-propoxy-indole
335.20
5.4
0
2
27.05
5
Ethyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
352.40
3.9
1
4
69.56
7
Methyl 2-[3-(1-methoxyindol-3-yl)propanoylamino]benzoate
352.40
3.9
1
4
69.56
7
(2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-16-acetyloxy-3,6,7-trihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
532.70
4.5
4
7
124.29
6
Isoorientin 7-glucoside
610.50
-2
11
16
280.43
6
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3'-gallate
730.60
3.5
12
16
287.52
6
procyanidin B4 3'-O-gallate
730.60
3.5
12
16
287.52
6
Procyanidin B2 3'-O-gallate
730.60
3.5
12
16
287.52
6
Murraol
260.28
2.2
1
4
59.67
3
2H-1-Benzopyran-2-one, 6,7-dimethoxy-8-(3-methyl-2-butenyl)-
274.31
3.8
0
4
48.67
4
4-(4-Hydroxybenzyl)-2-methoxyphenol
230.26
2.5
2
3
49.69
3
Hexanenitrile, 6-(methylthio)-
143.25
1.6
0
2
49.09
5
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