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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3E)-1,1-dibromo-4,8-dimethylnona-1,3,7-triene
|
308.05
|
5.8
|
0
|
0
|
0
|
4
|
|
|
Eicosadienic acid
|
308.50
|
8.7
|
1
|
2
|
37.3
|
16
|
|
|
1,3,6-Trihydroxy-4,5-dimethoxy-8-methylxanthen-9-one
|
318.28
|
2.8
|
3
|
7
|
109.36
|
2
|
|
|
Higenamine
|
271.31
|
2.2
|
4
|
4
|
72.72
|
2
|
|
|
Nonatriacontane
|
549.10
|
20.7
|
0
|
0
|
0
|
36
|
|
|
Intermedine, (+)-
|
299.36
|
-0.4
|
3
|
6
|
90.23
|
6
|
|
|
[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl]methanesulfonic acid
|
330.40
|
0.5
|
2
|
6
|
109.28
|
2
|
|
|
(3I(2),5I+/-)-3-Hydroxypregnane-2,16-dione
|
332.50
|
3.9
|
1
|
3
|
54.37
|
1
|
|
|
Oxymatrine
|
264.36
|
1
|
0
|
2
|
43.37
|
0
|
|
|
(1S,2S,5S,9R,13S,14S,19R)-1,14,17,17-tetramethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.02,10.05,9.014,19]henicos-10-ene
|
358.50
|
3.5
|
0
|
3
|
27.69
|
0
|
|
|
Hyptolide
|
368.40
|
1.6
|
0
|
8
|
105.2
|
11
|
|
|
1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside
|
372.40
|
0.3
|
6
|
9
|
156.91
|
6
|
|
|
methyl (8R)-8-ethyl-15-methoxy-6-oxo-7-oxa-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4,14(19),15,17-hexaene-5-carboxylate
|
394.40
|
2.8
|
1
|
6
|
80.86
|
4
|
|
|
5-Deoxypulchelloside I
|
406.40
|
-2.4
|
6
|
11
|
175.37
|
5
|
|
|
(3S,4S)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
|
414.40
|
3.6
|
0
|
8
|
81.68
|
5
|
|
|
24-Methylenecholest-4-ene-3beta,6beta-diol
|
414.70
|
7.4
|
2
|
2
|
40.46
|
5
|
|
|
Diphenylamine
|
169.22
|
3.5
|
1
|
1
|
12.03
|
2
|
|
|
[(4aR,5S,6R,6aS,11aS,11bR)-5-acetyloxy-4a-hydroxy-4,4,11b-trimethyl-1,7-dioxo-3,5,6,6a,11,11a-hexahydro-2H-naphtho[2,1-f][1]benzofuran-6-yl] acetate
|
432.50
|
1.3
|
1
|
8
|
120.11
|
4
|
|
|
(4aS,6aR,6aR,6bR,10R,12aR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
|
456.70
|
7.7
|
2
|
3
|
57.53
|
1
|
|
|
Complanadine B
|
496.70
|
4.3
|
2
|
5
|
66.91
|
1
|
|
|
(2R)-2-[(3R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
|
528.80
|
7.2
|
2
|
5
|
83.83
|
8
|
|
|
[(1R,4S,5R,6R)-4,6-bis(1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
544.60
|
4.5
|
0
|
6
|
77.54
|
4
|
|
|
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-2-methoxy-4,7-bis(3-methylbut-2-enyl)xanthen-9-one
|
546.70
|
10.1
|
3
|
6
|
100.13
|
10
|
|
|
Amrubicin hydrochloride
|
519.90
|
|
6
|
10
|
176.61
|
3
|
|
|
annumuricatin C
|
558.60
|
0.4
|
6
|
7
|
186.04
|
4
|
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