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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(-)-Ambroxide
|
236.39
|
4.7
|
0
|
1
|
9.23
|
0
|
|
|
oxyphyllol C
|
238.37
|
3.1
|
2
|
2
|
40.46
|
1
|
|
|
(3R,4aS,8aR)-3-(Furan-3-yl)-5,5-dimethyloctahydro-1H-isochromen-1-one
|
248.32
|
3.5
|
0
|
3
|
39.44
|
1
|
|
|
Ethyl hept-4-enoate
|
156.22
|
2.2
|
0
|
2
|
26.3
|
6
|
|
|
Dendocarbin C
|
252.35
|
2
|
2
|
3
|
49.69
|
0
|
|
|
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
|
268.35
|
3.9
|
1
|
2
|
32.34
|
5
|
|
|
7-Methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),4,6,9,11-pentaene-2,8-dione
|
304.30
|
3.3
|
0
|
4
|
56.51
|
2
|
|
|
(2S,4bS,8R,9S)-2-ethenyl-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthren-9-ol
|
304.50
|
3.9
|
2
|
2
|
40.46
|
2
|
|
|
6,14,15-Trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
|
309.30
|
3.2
|
1
|
4
|
56.79
|
3
|
|
|
(+)-Licarin
|
324.40
|
4.6
|
0
|
4
|
36.92
|
3
|
|
|
(4R,15S,16S,18R)-15-ethyl-4-hydroxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-13-one
|
326.40
|
0.8
|
1
|
5
|
65.43
|
1
|
|
|
(6aS)-2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
|
327.40
|
2.6
|
2
|
5
|
59.95
|
3
|
|
|
(1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate
|
332.40
|
3.5
|
0
|
5
|
69.04
|
3
|
|
|
1-O-Octadecyl-sn-glycerol
|
344.60
|
7.6
|
2
|
3
|
49.69
|
20
|
|
|
(1R,5R,6S,8S,9S,12S,13S)-3-amino-5,8,12,13-tetrahydroxy-8-methyl-10-oxa-2,4-diazatricyclo[7.3.1.01,6]tridec-3-en-11-one
|
287.27
|
-3.6
|
6
|
7
|
157.63
|
0
|
|
|
Butyl 3-phenylprop-2-enoate
|
204.26
|
3.9
|
0
|
2
|
26.3
|
6
|
|
|
6-(8''Z,11''Z-heptadecadienyl)-salicylicacid
|
372.50
|
8.9
|
2
|
3
|
57.53
|
15
|
|
|
Pisumionoside
|
404.50
|
-1.6
|
6
|
9
|
156.91
|
5
|
|
|
1,1-Diethoxynonane
|
216.36
|
4.8
|
0
|
2
|
18.46
|
11
|
|
|
(3S,4aR,6aR,6bS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,14,14a-dodecahydro-1H-picen-3-ol
|
410.70
|
7.5
|
1
|
1
|
20.23
|
0
|
|
|
3-[(1S,4aR,5S,6S,8aR)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-oxo-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
|
416.50
|
5.1
|
2
|
5
|
83.83
|
6
|
|
|
(3R)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
422.50
|
6.2
|
2
|
5
|
75.99
|
6
|
|
|
12alpha-Hydroxystigmast-4-en-3-one
|
428.70
|
8
|
1
|
2
|
37.3
|
6
|
|
|
[(1aR,2'R,3aS,4S,5S,5'R,6R,7aR,7bS)-2'-acetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate
|
432.50
|
3.2
|
0
|
7
|
87.5
|
5
|
|
|
[(1R,2R,3R,5S,8R,9R,10R)-10-acetyloxy-5,9-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
|
434.50
|
1.2
|
2
|
7
|
110.13
|
4
|
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