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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,4aS,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
2
|
|
|
Campesteryl acetate
|
442.70
|
9.4
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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] acetate
|
442.70
|
9.4
|
0
|
2
|
26.3
|
7
|
|
|
2-Heptadeca-8,11,14-trienyl-6-hydroxybenzoic acid
|
370.50
|
8.3
|
2
|
3
|
57.53
|
14
|
|
|
Salvinone
|
268.30
|
5.3
|
1
|
2
|
37.3
|
1
|
|
|
[(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
|
468.80
|
10.3
|
0
|
2
|
26.3
|
6
|
|
|
Cycloartenol acetate
|
468.80
|
10.3
|
0
|
2
|
26.3
|
6
|
|
|
1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
|
286.28
|
3.1
|
3
|
5
|
86.99
|
4
|
|
|
3-Chloro-4-(3-chloro-4-fluoro-2-nitrophenyl)-1H-pyrrole
|
275.06
|
3.5
|
1
|
3
|
58.93
|
1
|
|
|
Ethyl 2-hydroxy-3-methylpentanoate
|
160.21
|
1.6
|
1
|
3
|
46.53
|
5
|
|
|
Mallorepine
|
134.14
|
0.2
|
0
|
3
|
45.79
|
0
|
|
|
Acrylophenone
|
132.16
|
1.9
|
0
|
1
|
17.07
|
2
|
|
|
(1S,3S,9S,10R,11R,14S,15R,16S)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one
|
375.50
|
3.9
|
0
|
5
|
55.84
|
2
|
|
|
2-Hydroxy-2-phenylpropanoic acid
|
166.17
|
1
|
2
|
3
|
57.53
|
2
|
|
|
2-Methyl-1-phenylpropene
|
132.20
|
3.8
|
0
|
0
|
0
|
1
|
|
|
Rollinone
|
622.90
|
9.4
|
2
|
7
|
102.29
|
25
|
|
|
4-Phenyl-1-butene
|
132.20
|
3.3
|
0
|
0
|
0
|
3
|
|
|
6-Hydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
|
296.30
|
4.2
|
1
|
4
|
59.67
|
4
|
|
|
[(1S,6R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
|
616.80
|
6.5
|
3
|
8
|
130.36
|
17
|
|
|
Azukisaponin VI
|
1135.20
|
-0.6
|
15
|
25
|
411.43
|
14
|
|
|
Vinyl benzoate
|
148.16
|
2.3
|
0
|
2
|
26.3
|
3
|
|
|
3,6-anhydro-alpha-D-galactose
|
162.14
|
-2.1
|
3
|
5
|
79.15
|
0
|
|
|
24-epi-Castasterone
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
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