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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
orthosiphol B
|
676.70
|
5.3
|
2
|
11
|
162.73
|
11
|
|
|
(1R,2S,3S,4R,8R,9R,11R,12R)-8-formyl-11-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
|
362.40
|
0.8
|
3
|
6
|
111.9
|
3
|
|
|
2-Aminofluorene
|
181.23
|
3.1
|
1
|
1
|
26.02
|
0
|
|
|
3-(2,4-dihydroxyphenyl)-3,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2H-chromen-4-one
|
424.50
|
5.1
|
4
|
6
|
107.22
|
5
|
|
|
methyl (1R,4aS,9S,10S,10aR)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-1-carboxylate
|
416.50
|
2.9
|
2
|
7
|
110.13
|
5
|
|
|
3,4-Dihydro-8-hydroxy-6-methoxy-(3R)-propylisocoumarin
|
236.26
|
3.3
|
1
|
4
|
55.76
|
3
|
|
|
2'-O-Methylphaseollinisoflavan
|
338.40
|
4.2
|
1
|
4
|
47.92
|
2
|
|
|
Kadsulactone A
|
482.60
|
6.5
|
1
|
5
|
72.83
|
2
|
|
|
Ethyl vinyl ketone
|
84.12
|
1
|
0
|
1
|
17.07
|
2
|
|
|
Buddlejasaponin IV
|
943.10
|
0.9
|
11
|
18
|
287.14
|
9
|
|
|
1-Hexen-3-one
|
98.14
|
1.4
|
0
|
1
|
17.07
|
3
|
|
|
(3S,10S,13R,14R,15S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
|
454.70
|
7.8
|
2
|
2
|
40.46
|
5
|
|
|
3-(3,4-Dimethoxyphenyl)prop-2-enyl 2-(2-methylbut-2-enoyloxymethyl)but-2-enoate
|
374.40
|
3.9
|
0
|
6
|
71.06
|
11
|
|
|
Propionylshikonin
|
344.40
|
4
|
2
|
6
|
100.9
|
6
|
|
|
Heptadeca-2,8,10-trien-4,6-diyne
|
226.36
|
6.3
|
0
|
0
|
0
|
7
|
|
|
Nereistoxin
|
149.30
|
0.8
|
0
|
3
|
53.84
|
1
|
|
|
(2R,3R)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
(2R,3R,4S)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
850.80
|
3.7
|
14
|
17
|
310.91
|
5
|
|
|
Fischeria A
|
288.40
|
5.4
|
0
|
2
|
26.3
|
1
|
|
|
(1S,2S,3R,7R,8S,10R)-3,10-dihydroxy-3,10-dimethyl-6,12-bis[(1S)-1,2,2-trimethylcyclopentyl]tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
|
468.70
|
5.5
|
2
|
4
|
74.6
|
2
|
|
|
12-Hydroxy-6,7-secoabieta-8,11,13-trien-6,7-dial
|
316.40
|
4.8
|
1
|
3
|
54.37
|
4
|
|
|
Solifenacin
|
362.50
|
4
|
0
|
3
|
32.78
|
3
|
|
|
(3aS,6R,9aS,9bS)-6-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
|
246.30
|
1.3
|
1
|
3
|
46.53
|
0
|
|
|
6-Hydroxy-7-methoxychromen-4-one
|
192.17
|
1.4
|
1
|
4
|
59.67
|
1
|
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