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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Sclareapinone
|
328.40
|
2.8
|
1
|
4
|
71.44
|
5
|
|
|
erythro-Austrobailignan-6
|
328.40
|
5.2
|
1
|
4
|
47.92
|
6
|
|
|
Dihydrofurospongin-2
|
328.40
|
5.3
|
0
|
3
|
43.35
|
11
|
|
|
Betulalbuside A
|
332.39
|
-0.3
|
5
|
7
|
119.61
|
8
|
|
|
(1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
|
334.40
|
0.4
|
1
|
3
|
43.78
|
1
|
|
|
N-[3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
|
395.50
|
3.2
|
1
|
4
|
77.95
|
5
|
|
|
2-methylpropyl (9Z,12Z)-octadeca-9,12-dienoate
|
336.60
|
8.2
|
0
|
2
|
26.3
|
17
|
|
|
2-O-Acetyl-trans-coutaric acid
|
338.27
|
1
|
3
|
9
|
147.43
|
9
|
|
|
6-Prenylapigenin
|
338.40
|
3.7
|
3
|
5
|
90.9
|
3
|
|
|
[(2S,3R,4R,5E,9R)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate
|
338.40
|
2.6
|
2
|
6
|
93.06
|
6
|
|
|
(1R,3S,8R,11S,12S,16S,18R)-18-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-ene-6,15-dione
|
342.50
|
3.3
|
1
|
3
|
54.37
|
0
|
|
|
(E)-N-[(2S)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
|
343.40
|
2.1
|
3
|
5
|
88.02
|
7
|
|
|
Royleanonic acid
|
346.40
|
3
|
2
|
5
|
91.67
|
2
|
|
|
(4S,4aR,9E,11bS)-9-(carboxymethylidene)-8-hydroxy-4,11b-dimethyl-1,2,3,4a,5,6,10,11-octahydrocyclohepta[a]naphthalene-4-carboxylic acid
|
346.40
|
2.7
|
3
|
5
|
94.83
|
2
|
|
|
3,5-Dimethoxyphenol
|
154.16
|
1.6
|
1
|
3
|
38.69
|
2
|
|
|
Sophoraisoflavone A
|
352.30
|
3.6
|
3
|
6
|
100.13
|
1
|
|
|
Cuscuta propenamide 2
|
353.50
|
5.1
|
2
|
3
|
58.56
|
9
|
|
|
Glucosyringic acid
|
360.31
|
-1
|
5
|
10
|
155.14
|
6
|
|
|
Alhfwfvpztxdoe-wkppjlgdsa-
|
360.50
|
4.3
|
1
|
4
|
59.67
|
2
|
|
|
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl (E)-2-methylbut-2-enoate
|
360.50
|
5.3
|
0
|
5
|
111.02
|
6
|
|
|
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
|
264.32
|
1
|
3
|
4
|
84.58
|
7
|
|
|
[(3Z,5E,11E)-trideca-3,5,11-trien-7,9-diynyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
362.40
|
5.2
|
1
|
4
|
55.76
|
9
|
|
|
(1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(1R)-1,2-dihydroxyethyl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
|
364.30
|
-1.3
|
2
|
8
|
118.12
|
2
|
|
|
vitrofolal D
|
364.30
|
3.3
|
1
|
6
|
82.06
|
4
|
|
|
Alpinumisoflavone dimethyl ether
|
364.40
|
4
|
0
|
5
|
57.9
|
3
|
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