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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,5-Diphenylpentan-3-ol
|
240.34
|
4.2
|
1
|
1
|
20.23
|
6
|
|
|
(3aS,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
|
236.39
|
4.7
|
0
|
1
|
9.23
|
0
|
|
|
1-[(2S)-6-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]ethanone
|
218.25
|
3.1
|
1
|
3
|
46.53
|
2
|
|
|
3-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid
|
194.18
|
1.5
|
2
|
4
|
66.76
|
3
|
|
|
Clausenamide
|
297.30
|
1.5
|
2
|
3
|
60.77
|
3
|
|
|
delta-Dodecalactone
|
198.30
|
3.6
|
0
|
2
|
26.3
|
6
|
|
|
2-Hydroxydecanedioic acid
|
218.25
|
1.4
|
3
|
5
|
94.83
|
9
|
|
|
19-Oxotestosterone
|
302.40
|
2
|
1
|
3
|
54.37
|
1
|
|
|
(R)-m-Menth-1(6)-en-8-ol
|
154.25
|
1.8
|
1
|
1
|
20.23
|
1
|
|
|
Anthriscinol methyl ether
|
222.24
|
2
|
0
|
4
|
36.92
|
4
|
|
|
Bicyclo[3.1.1]heptan-3-one
|
110.15
|
1.1
|
0
|
1
|
17.07
|
0
|
|
|
2-Phenylbenzimidazole
|
194.23
|
3.2
|
1
|
1
|
28.68
|
1
|
|
|
Ginsenoside Rc
|
1079.30
|
0.9
|
14
|
22
|
357.06
|
16
|
|
|
CID 12855917
|
638.90
|
4.3
|
7
|
9
|
160.07
|
7
|
|
|
panaxoside A progenin
|
638.90
|
4.3
|
7
|
9
|
160.07
|
7
|
|
|
2-(hydroxymethyl)-6-[6-(hydroxymethyl)-2-[[17-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-b
|
963.20
|
1.1
|
13
|
19
|
318.37
|
13
|
|
|
3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenic acid
|
304.50
|
6.8
|
1
|
2
|
37.3
|
10
|
|
|
Aristoloside
|
519.40
|
1.4
|
5
|
13
|
207.51
|
5
|
|
|
4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
|
194.31
|
2.8
|
0
|
1
|
17.07
|
3
|
|
|
Pinocarvyl acetate, trans-(-)-
|
194.27
|
2.4
|
0
|
2
|
26.3
|
2
|
|
|
Dimethylmatairesinol
|
386.40
|
3.9
|
0
|
6
|
63.22
|
8
|
|
|
1,3,5-Triisopropylbenzene
|
204.35
|
5.3
|
0
|
0
|
0
|
3
|
|
|
1-Hydroxy-2,3-dimethoxyanthracene-9,10-dione
|
284.26
|
3
|
1
|
5
|
72.83
|
2
|
|
|
(4aS,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
|
329.21
|
-2.6
|
3
|
10
|
164.65
|
1
|
|
|
Adlumidiceine
|
399.40
|
0.4
|
1
|
8
|
94.53
|
7
|
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