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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
beta-Elemenone
|
218.33
|
4.4
|
0
|
1
|
17.07
|
2
|
|
|
(1S,2R,5R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
|
222.37
|
4
|
0
|
1
|
9.23
|
0
|
|
|
Patchouli alcohol
|
222.37
|
4.1
|
1
|
1
|
20.23
|
0
|
|
|
1-(1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-9-yl)propan-2-one
|
228.29
|
0.7
|
0
|
2
|
32.67
|
2
|
|
|
Yhaqqfnsezllpm-uhfffaoysa-
|
232.28
|
1.3
|
1
|
3
|
41.57
|
0
|
|
|
Turmeronol B
|
232.32
|
3.9
|
1
|
2
|
37.3
|
4
|
|
|
[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]methanol
|
238.37
|
2.7
|
1
|
2
|
29.46
|
1
|
|
|
(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
|
250.25
|
0.9
|
1
|
5
|
64.99
|
2
|
|
|
4-Methylpentanenitrile
|
97.16
|
1.5
|
0
|
1
|
23.79
|
2
|
|
|
(1R,2S,10R,13S,15R)-2,10-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
|
279.37
|
0.6
|
2
|
4
|
60.77
|
0
|
|
|
Isobutyl formate
|
102.13
|
1.5
|
0
|
2
|
26.3
|
3
|
|
|
Sedacryptine
|
291.40
|
1.8
|
2
|
4
|
52.93
|
3
|
|
|
Noratherosperminine
|
295.40
|
4.2
|
1
|
3
|
30.49
|
5
|
|
|
(3Z,5Z,6aR,7R,9R,10aS)-6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8H-1-benzoxocine-7-carboxylic acid
|
296.31
|
0.7
|
3
|
6
|
104.06
|
1
|
|
|
Ovalicin
|
296.36
|
0.6
|
1
|
5
|
71.59
|
4
|
|
|
(6E)-7-(2H-1,3-Benzodioxol-5-YL)-1-(pyrrolidin-1-YL)hept-6-EN-1-one
|
301.40
|
3.5
|
0
|
3
|
38.77
|
6
|
|
|
Methyl 4-hydroxy-3-(4-methoxycarbonylphenoxy)benzoate
|
302.28
|
3.2
|
1
|
6
|
82.06
|
6
|
|
|
Pongaglabrone
|
306.30
|
3.4
|
0
|
5
|
61.81
|
1
|
|
|
[2-[4-(Acetyloxymethyl)-2-hydroxyphenyl]-2-hydroxypropyl] 2-methylpropanoate
|
310.34
|
2.1
|
2
|
6
|
93.06
|
8
|
|
|
(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
|
310.40
|
3.9
|
2
|
4
|
70.06
|
13
|
|
|
(1'S,3R,4'R,7'R,8'S)-2',2',7'-trimethylspiro[1H-indole-3,6'-3-azatricyclo[5.2.2.04,8]undecane]-2-one
|
310.40
|
3
|
2
|
2
|
41.13
|
0
|
|
|
Phyllanthurinolactone
|
314.29
|
-1.7
|
4
|
8
|
125.68
|
3
|
|
|
(2S,3S)-2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
|
320.30
|
2.8
|
2
|
4
|
66.76
|
2
|
|
|
(2R,3R,4S,5S,6R)-2-[2-(1,4-dihydroxycyclohexyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
322.35
|
-1.9
|
6
|
8
|
139.84
|
5
|
|
|
4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol
|
326.40
|
5.9
|
2
|
3
|
49.69
|
7
|
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