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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Methylnorbornane
|
110.20
|
3.2
|
0
|
0
|
0
|
0
|
|
|
(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
|
405.50
|
4.8
|
1
|
5
|
60.28
|
4
|
|
|
1-(4-Hydroxyphenyl)-6-methoxyisoquinolin-7-ol
|
267.28
|
3
|
2
|
4
|
62.58
|
2
|
|
|
[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate
|
730.60
|
3.9
|
10
|
16
|
273.36
|
6
|
|
|
[(2R,3R)-2-[8-[(2R,3R)-3-(3,4-dihydroxy-5-methoxybenzoyl)oxy-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
882.70
|
5
|
12
|
20
|
340.12
|
9
|
|
|
Epitheaflavic acid 3a(2)-gallate
|
580.40
|
3
|
9
|
14
|
251.74
|
5
|
|
|
3,3'-Bis(4''-hydroxyanigorufone)
|
574.60
|
7.4
|
4
|
6
|
115.06
|
3
|
|
|
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
|
871.20
|
11.7
|
2
|
9
|
121.94
|
22
|
|
|
7-Tridecanol
|
200.36
|
5.4
|
1
|
1
|
20.23
|
10
|
|
|
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxyxanthene-2,9-dione
|
532.70
|
8.7
|
3
|
6
|
107.97
|
10
|
|
|
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxyxanthene-2,9-dione
|
532.70
|
8.7
|
3
|
6
|
107.97
|
10
|
|
|
10,21,22,26-Tetramethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaene
|
622.70
|
6.7
|
0
|
8
|
61.86
|
4
|
|
|
Methyl 12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
684.70
|
-1.4
|
7
|
16
|
248.2
|
8
|
|
|
(2S,4Z)-4-[2-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
|
397.40
|
1.7
|
5
|
8
|
152.08
|
7
|
|
|
1-Ethyl-2-methylcyclopentane
|
112.21
|
3.8
|
0
|
0
|
0
|
1
|
|
|
7-Deacetyl-1,9-dideoxyforskolin from Coleus forskohlii
|
336.50
|
2.7
|
2
|
4
|
66.76
|
1
|
|
|
2,6-Diethylpyridine
|
135.21
|
2.5
|
0
|
1
|
12.89
|
2
|
|
|
7,8-dimethyl-4-oxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-3,5-dihydrobenzo[g]pteridin-5-ium-2-olate
|
458.40
|
-1.2
|
7
|
11
|
225.92
|
7
|
|
|
1,2-Dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione
|
344.30
|
3
|
2
|
7
|
102.29
|
3
|
|
|
1,2,6,8-Tetrahydroxy-7-methoxy-3-methylanthraquinon
|
316.26
|
2.3
|
4
|
7
|
124.29
|
1
|
|
|
1-Desmethylobtusin
|
330.29
|
2.7
|
3
|
7
|
113.29
|
2
|
|
|
9-[(4aR,6R,7S,7aR)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one
|
345.21
|
-3.4
|
4
|
9
|
184.62
|
1
|
|
|
11-Hydroxy-7-(1-hydroxyethylidene)-3-methoxy-5-methyl-4-(3-methylbut-2-enyl)cyclohepta[b]quinoline-1,6,8-trione
|
409.40
|
3.2
|
2
|
7
|
105.83
|
3
|
|
|
5-Ethyl-4-methyloxolan-2-one
|
128.17
|
1.6
|
0
|
2
|
26.3
|
1
|
|
|
12-Ethenyl-3-hydroxy-2-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
|
320.30
|
2.5
|
1
|
4
|
64.35
|
2
|
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