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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,10S,11S,13S,15R)-6-oxido-17-oxa-6-azoniapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol
|
279.37
|
1.2
|
1
|
3
|
52.52
|
0
|
|
|
1H-Cycloprop[e]azulene
|
140.18
|
1.9
|
0
|
0
|
0
|
0
|
|
|
Sideritoflavone
|
360.30
|
2.6
|
3
|
8
|
118.59
|
4
|
|
|
(1aR,3S,8bS)-3-(2-hydroxypropan-2-yl)-6,8b-dimethyl-2,3-dihydro-1aH-oxireno[2,3-d][1]benzoxepin-7-ol
|
264.32
|
1.7
|
2
|
4
|
62.22
|
1
|
|
|
17,29-Dihydroxy-6,28,35-trimethoxy-23-methyl-15-oxa-8,23-diazaheptacyclo[20.6.2.22,5.211,14.116,20.04,9.026,30]pentatriaconta-1(28),2,4,6,11,13,16,18,20(31),26,29,32,34-tridecaene-8-carbaldehyde
|
620.70
|
5.4
|
2
|
8
|
100.93
|
3
|
|
|
Neopetasol
|
234.33
|
2.8
|
1
|
2
|
37.3
|
1
|
|
|
4-Hydroxy-2',4'-dimethoxydihydrochalcone
|
286.32
|
3.1
|
1
|
4
|
55.76
|
6
|
|
|
(2S)-7-hydroxy-8-methoxy-2-phenyl-2,3-dihydrochromen-4-one
|
270.28
|
2.5
|
1
|
4
|
55.76
|
2
|
|
|
6-(4-Hydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde
|
242.23
|
2.5
|
1
|
4
|
55.76
|
2
|
|
|
Guibourtinidol-7-methyl ether
|
272.29
|
2.5
|
2
|
4
|
58.92
|
2
|
|
|
Clausine M
|
241.24
|
2.9
|
2
|
3
|
62.32
|
2
|
|
|
1,7-Dimethoxy-6-methyl-9H-carbazole
|
241.28
|
3.7
|
1
|
2
|
34.25
|
2
|
|
|
7-hydroxy-1-methoxy-9H-carbazole-3-carbaldehyde
|
241.24
|
2.5
|
2
|
3
|
62.32
|
2
|
|
|
Clausine R
|
257.24
|
2.5
|
3
|
4
|
82.55
|
2
|
|
|
2-hydroxy-1-(2-hydroxy-3-methylbut-3-enyl)-9H-carbazole-3-carbaldehyde
|
295.30
|
3.9
|
3
|
3
|
73.32
|
4
|
|
|
1-(2,3-dihydroxy-3-methylbutyl)-2,7-dihydroxy-9H-carbazole-3-carbaldehyde
|
329.30
|
2.3
|
5
|
5
|
113.78
|
4
|
|
|
(1R,5R,8R)-8-[(5S,8S,10R,13S,14S,17R)-5-hydroxy-10,13-dimethyl-1-oxo-6,7,8,12,14,15,16,17-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
|
452.60
|
3.7
|
1
|
5
|
72.83
|
1
|
|
|
(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
|
276.33
|
2
|
3
|
3
|
78.43
|
4
|
|
|
(3aS,6S,6aR,7R,9S,9aS,9bR)-6a,7,9-trihydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,7,8,9,9b-octahydroazuleno[4,5-b]furan-2-one
|
282.33
|
0.6
|
3
|
5
|
86.99
|
0
|
|
|
coumaroyl(3-OMe)(-6)Glc(b)-O-Ph(2-CO2H)
|
476.40
|
1
|
5
|
11
|
172.21
|
9
|
|
|
(1S,2S,6S,8R,10R,11S,14R,15R)-1,7,7,11,15-pentamethyl-14-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[8.7.0.02,6.06,8.011,15]heptadecane-5,9-dione
|
452.70
|
6.5
|
0
|
3
|
51.21
|
4
|
|
|
7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
|
412.50
|
2.7
|
0
|
6
|
60.47
|
5
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-methyl-3-[[(1S,2S)-2-methyl-5-oxocyclopentyl]methyl]-6-oxoheptan-2-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate
|
546.60
|
2.5
|
3
|
9
|
139.59
|
13
|
|
|
(3S,6aS,12aR,12bR)-3-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
|
405.50
|
4.5
|
1
|
5
|
66.84
|
3
|
|
|
(7aR)-7a-hydroxy-2-prop-2-enyl-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
|
212.27
|
0.3
|
1
|
3
|
75.87
|
2
|
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