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Physicochemical properties (MW, LogP) of all entries.
| 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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