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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(Z)-2-(heptadec-10-enyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
|
374.60
|
8.2
|
0
|
3
|
43.37
|
16
|
|
|
5-((3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
|
530.60
|
1.9
|
4
|
8
|
129.59
|
3
|
|
|
phosphono [(E,7R,11S)-3,7,11,15-tetramethylhexadec-2-enyl] hydrogen phosphate
|
456.50
|
6
|
3
|
7
|
132.91
|
17
|
|
|
Dibromoacetic acid
|
217.84
|
1.5
|
1
|
2
|
37.3
|
1
|
|
|
Flemichin D
|
422.50
|
5.2
|
3
|
6
|
96.22
|
3
|
|
|
(3aS,7aS)-3a-hydroxy-2,3,4,5,7,7a-hexahydro-1-benzofuran-6-one
|
156.18
|
-0.7
|
1
|
3
|
46.53
|
0
|
|
|
Trimethylurea
|
102.14
|
-0.4
|
1
|
1
|
32.34
|
0
|
|
|
1-[(13S)-2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
|
405.40
|
3.9
|
0
|
6
|
57.23
|
4
|
|
|
trans-2,3-Dihydro-3-hydroxyeuparin
|
234.25
|
2
|
2
|
4
|
66.76
|
2
|
|
|
(3S)-3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
|
256.30
|
3.4
|
2
|
3
|
49.69
|
2
|
|
|
(E,9R,10S)-9,10-dihydroxyoctadec-12-enoic acid
|
314.50
|
4.6
|
3
|
4
|
77.76
|
15
|
|
|
epi-Eriocalyxin A
|
344.40
|
2.2
|
0
|
5
|
77.51
|
1
|
|
|
(2S,5S)-2-amino-5-hydroxyhexanoic acid
|
147.17
|
-2.9
|
3
|
4
|
83.55
|
4
|
|
|
(6S)-3,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
|
342.30
|
2.4
|
3
|
7
|
109.36
|
1
|
|
|
(2R)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid
|
356.24
|
-0.8
|
6
|
11
|
198.89
|
5
|
|
|
(all-E)-Crocetin
|
328.40
|
5.4
|
2
|
4
|
74.6
|
8
|
|
|
(6R)-3,8,10-trihydroxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
|
420.50
|
5.8
|
3
|
6
|
100.13
|
3
|
|
|
(3R)-3-hydroxy-1-(4-hydroxyphenyl)-5-phenylpentan-1-one
|
270.32
|
2.9
|
2
|
3
|
57.53
|
6
|
|
|
(3R)-7-hydroxy-3-[(2-hydroxy-3-methoxyphenyl)methyl]-5,8-dimethoxy-6-methyl-2,3-dihydrochromen-4-one
|
374.40
|
2.9
|
2
|
7
|
94.45
|
5
|
|
|
(6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
392.50
|
6.1
|
2
|
4
|
58.92
|
4
|
|
|
methyl (2R,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
388.40
|
-1.6
|
4
|
10
|
151.98
|
8
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
456.70
|
8.2
|
2
|
3
|
57.53
|
2
|
|
|
(8E,10E,12R)-heptadeca-8,10-dien-4,6-diyne-1,12-diol
|
260.40
|
3.8
|
2
|
2
|
40.46
|
9
|
|
|
(3aS,9R,9aS,9bR)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
|
248.32
|
1.3
|
1
|
3
|
46.53
|
0
|
|
|
[(1R,5S,6S)-5-benzoyloxy-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
|
382.40
|
1.9
|
2
|
7
|
110.13
|
7
|
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