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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(R)-10,16-Dihydroxyhexadecanoic acid
|
288.42
|
3.6
|
3
|
4
|
77.76
|
15
|
|
|
[(1S,3S,5S)-5-hydroxy-3-[(3S)-3-hydroxy-3-methylpent-4-enyl]-2,2-dimethyl-4-methylidenecyclohexyl] acetate
|
296.40
|
2.1
|
2
|
4
|
66.76
|
6
|
|
|
(1S,9S,12S,13S,15R,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene
|
296.40
|
3.1
|
1
|
3
|
27.8
|
1
|
|
|
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylhepta-2,4,6-trien-1-one
|
297.30
|
3.8
|
0
|
3
|
38.77
|
4
|
|
|
glycocitrine II
|
309.40
|
4.9
|
2
|
4
|
62.46
|
2
|
|
|
2,3-Dimethylbenzoic acid
|
150.17
|
2.8
|
1
|
2
|
37.3
|
1
|
|
|
(3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
|
342.30
|
3.1
|
2
|
6
|
85.22
|
4
|
|
|
(2E,4E)-1-(Piperidin-1-yl)octadeca-2,4-dien-1-one
|
347.60
|
8.4
|
0
|
1
|
20.31
|
14
|
|
|
1,8-Dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-2-enyl)anthracene-9,10-dione
|
352.40
|
5
|
2
|
5
|
83.83
|
3
|
|
|
(+)-Ar,11S-Myricanol
|
358.40
|
4.1
|
3
|
5
|
79.15
|
2
|
|
|
2-Butyl-5-methoxy-7-phenylbenzo[de]isoquinoline-1,6-dione
|
359.40
|
4.1
|
0
|
3
|
48.3
|
5
|
|
|
(1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
|
366.40
|
-0.3
|
4
|
6
|
107.22
|
1
|
|
|
[(1S,2S,4aR,8aR)-2-(1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-piperidin-1-ylmethanone
|
367.50
|
4.9
|
0
|
3
|
38.77
|
2
|
|
|
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-2-hydroxypropanoyl]oxypropanoic acid
|
378.30
|
1.6
|
6
|
9
|
164.75
|
8
|
|
|
4,4,8-Trimethyl-2,3,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-1,7,11-trione
|
310.30
|
3
|
0
|
4
|
60.44
|
0
|
|
|
Uralstilbene
|
382.50
|
6.5
|
3
|
4
|
69.92
|
8
|
|
|
Pseudolaric acid H
|
386.40
|
2.8
|
1
|
6
|
89.9
|
5
|
|
|
2-S-glutathionyl caftaric acid
|
617.50
|
-4.4
|
10
|
17
|
345.71
|
18
|
|
|
methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
|
402.40
|
-0.9
|
4
|
9
|
142.75
|
10
|
|
|
6-Chloro-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
|
304.68
|
3.3
|
3
|
5
|
90.9
|
1
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6-hydroxy-2-oxochromen-7-yl)oxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
|
474.40
|
0.7
|
5
|
11
|
176.12
|
7
|
|
|
Dibothrioclinin II
|
484.50
|
5
|
0
|
6
|
78.88
|
0
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
|
506.60
|
-1.3
|
7
|
11
|
178.53
|
9
|
|
|
Patentiflorin A
|
526.50
|
2.3
|
3
|
11
|
142.37
|
5
|
|
|
[(1S,2S,3R,4R,7R,8S,10Z,12S,13R,14S,17S)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-14-yl] acetate
|
541.00
|
1.7
|
1
|
10
|
137.96
|
6
|
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