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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2E,6E)-3,7,11-trimethyl-10-tritiododeca-2,6,10-trienal
|
222.36
|
4.9
|
0
|
1
|
17.07
|
7
|
|
|
Himachalane-2-en-6-ol
|
222.37
|
3.8
|
1
|
1
|
20.23
|
0
|
|
|
(6S,9S)-vomifoliol
|
224.30
|
0.5
|
2
|
3
|
57.53
|
2
|
|
|
7-methoxy-9H-carbazole-3-carbaldehyde
|
225.24
|
2.8
|
1
|
2
|
42.09
|
2
|
|
|
7-epi-Deoxynupharidine
|
233.35
|
3.5
|
0
|
2
|
16.38
|
1
|
|
|
Isodrimenediol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
(7S,10aR)-7-pentyl-1,4,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]oxazepin-2-one
|
239.35
|
3.2
|
0
|
3
|
29.54
|
4
|
|
|
Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-
|
242.31
|
4.1
|
0
|
2
|
18.46
|
5
|
|
|
11-Methoxyquindoline
|
248.28
|
3.3
|
1
|
2
|
37.91
|
1
|
|
|
2-(2-Hydroxypropan-2-yl)benzo[g][1]benzofuran-4,5-dione
|
256.25
|
1.5
|
1
|
4
|
67.51
|
1
|
|
|
methyl (3R,3aR,7R,7aS)-6-ethenyl-3,7,7a-trimethyl-4-oxo-1,2,3,7-tetrahydroindene-3a-carboxylate
|
262.34
|
3.4
|
0
|
3
|
43.37
|
3
|
|
|
12-Methoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
|
267.32
|
2.1
|
0
|
2
|
29.54
|
1
|
|
|
Pyridoxine
|
169.18
|
-0.8
|
3
|
4
|
73.58
|
2
|
|
|
2-O-methylisohemigossylic acid lactone
|
272.29
|
4.3
|
1
|
4
|
55.76
|
2
|
|
|
1-Heptadecene-4,6-diyne-3,9,10-triol
|
278.40
|
3.5
|
3
|
3
|
60.69
|
10
|
|
|
13-phenyltridecanoic Acid
|
290.40
|
6.8
|
1
|
2
|
37.3
|
13
|
|
|
9-methoxy-2,2,8-trimethyl-11H-pyrano[2,3-a]carbazole
|
293.40
|
4.6
|
1
|
2
|
34.25
|
1
|
|
|
Acerogenin L
|
296.40
|
4
|
1
|
3
|
46.53
|
0
|
|
|
Vertilecanin C
|
298.29
|
1.7
|
1
|
5
|
85.36
|
6
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-methylsulfonylprop-2-enoxy]oxane-3,4,5-triol
|
298.31
|
-2.7
|
4
|
8
|
141.9
|
5
|
|
|
Isoazitine
|
299.40
|
2.8
|
1
|
2
|
32.59
|
0
|
|
|
Glabrocoumarone A
|
308.30
|
4.2
|
2
|
4
|
62.83
|
1
|
|
|
5,6,7-Trihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
|
316.26
|
2.3
|
4
|
7
|
120.36
|
2
|
|
|
11,14-Dihydroxy-8,11,13-abietatrien-7-one
|
316.40
|
5.8
|
2
|
3
|
57.53
|
1
|
|
|
4-[(E,3S,5S)-5-ethoxy-3-hydroxy-7-phenylhept-6-enyl]phenol
|
326.40
|
4.3
|
2
|
3
|
49.69
|
9
|
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