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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,8R,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
576.80
|
11.1
|
1
|
4
|
55.76
|
10
|
|
|
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid
|
276.14
|
-4.5
|
7
|
10
|
194.79
|
7
|
|
|
Metacetamol
|
151.16
|
0.7
|
2
|
2
|
49.33
|
1
|
|
|
(3R,3aR,7aS)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
|
152.23
|
1.9
|
0
|
1
|
9.23
|
0
|
|
|
Isovanillin
|
152.15
|
1
|
1
|
3
|
46.53
|
2
|
|
|
Adipedatol
|
428.70
|
8.5
|
1
|
2
|
29.46
|
0
|
|
|
[(1S,3R,4R,5R,7S,8R,10R,11S,12S,13S,16S)-5,16-diacetyloxy-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl] (E)-2-methylbut-2-enoate
|
700.70
|
2.3
|
1
|
14
|
191.17
|
11
|
|
|
2,2-Diethoxyethanol
|
134.17
|
0.1
|
1
|
3
|
38.69
|
5
|
|
|
Octahydro-4,8a-dimethyl-4a(2H)-naphthol
|
182.30
|
3.3
|
1
|
1
|
20.23
|
0
|
|
|
Cycleanine
|
622.70
|
6.7
|
0
|
8
|
61.86
|
4
|
|
|
Bendazol
|
208.26
|
3.2
|
1
|
1
|
28.68
|
2
|
|
|
2-Hydroxyisodavanone D
|
252.35
|
1.9
|
1
|
3
|
46.53
|
5
|
|
|
Alfalone
|
298.29
|
2.8
|
1
|
5
|
68.9
|
3
|
|
|
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
|
414.70
|
10.3
|
1
|
2
|
29.46
|
12
|
|
|
2,3-Dihydropodocarpusflavone A
|
554.50
|
5.1
|
5
|
10
|
166.89
|
4
|
|
|
(2s)-8-Formyl-5-hydroxy-7-methoxy-6-methylflavanone
|
312.30
|
2.9
|
1
|
5
|
72.83
|
3
|
|
|
(2R,5S,7R,10R,11R,15R,17S)-15-hydroxy-2,7,10,11,20,21-hexamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one
|
646.70
|
2.8
|
1
|
11
|
120.37
|
8
|
|
|
4H-1-Benzopyran-4-one, 3,5,6,7,8-pentahydroxy-2-(4-methoxyphenyl)-
|
332.26
|
2.1
|
5
|
8
|
140.59
|
2
|
|
|
6,8-Dihydroxykaempferol
|
318.23
|
1.8
|
6
|
8
|
151.59
|
1
|
|
|
(E)-1-(2,3,4,5,6-pentahydroxyphenyl)-3-phenylprop-2-en-1-one
|
288.25
|
2.5
|
5
|
6
|
118.22
|
3
|
|
|
(1S,2S,3R,9S,17S)-3-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
262.35
|
0.6
|
1
|
3
|
43.78
|
0
|
|
|
(1R,2R,9S,15S,17S)-15-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
|
262.35
|
0.7
|
1
|
3
|
43.78
|
0
|
|
|
1,3,7-Trihydroxy-2-methoxyxanthone
|
274.22
|
2.4
|
3
|
6
|
100.13
|
1
|
|
|
Mecambrine
|
295.30
|
2.4
|
0
|
4
|
38.77
|
0
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a,6b,12a-trimethyl-2,9-dimethylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
424.60
|
5
|
2
|
3
|
57.53
|
1
|
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