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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one
|
139.19
|
0.6
|
1
|
1
|
29.1
|
0
|
|
|
2-Methyl-1,2,3,4-tetrahydroisoquinoline
|
147.22
|
1.8
|
0
|
1
|
3.24
|
0
|
|
|
2-ethyl-3H-furan-2-carbaldehyde
|
126.15
|
1.1
|
0
|
2
|
26.3
|
2
|
|
|
Oct-1-EN-2-OL
|
128.21
|
3.3
|
1
|
1
|
20.23
|
5
|
|
|
Excoecarin F
|
404.90
|
2.6
|
3
|
6
|
104.06
|
6
|
|
|
(+)-(R)-tetrahydropersin
|
384.60
|
7.6
|
1
|
4
|
63.6
|
21
|
|
|
Vincamine
|
354.40
|
2.9
|
1
|
4
|
54.7
|
3
|
|
|
3-Methyl-heptadecan-2-one
|
268.50
|
7.8
|
0
|
1
|
17.07
|
14
|
|
|
(2S,3'S,4R)-4-ethenyl-3'-hydroxy-4,4',4',10-tetramethylspiro[3H-pyrano[3,2-c]chromene-2,2'-oxetane]-5-one
|
342.40
|
3.1
|
1
|
5
|
68.9
|
1
|
|
|
(3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6,9-trimethyl-3,3a,4,5,6,6a,7,10-octahydrobenzo[h][1]benzofuran-2-one
|
250.33
|
2.2
|
1
|
3
|
46.53
|
0
|
|
|
(3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
|
250.33
|
2.3
|
1
|
3
|
46.53
|
0
|
|
|
Arteannuin N
|
250.33
|
3.2
|
1
|
3
|
54.37
|
2
|
|
|
2,3,9-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-4,10-diol
|
354.40
|
3.1
|
2
|
5
|
72.03
|
3
|
|
|
(13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-4,10-diol
|
357.40
|
2.6
|
2
|
6
|
71.39
|
3
|
|
|
Baccatin VI
|
714.80
|
2.6
|
1
|
14
|
187.26
|
13
|
|
|
1-(3,3-Dimethyloxiran-2-yl)-3-ethenyl-5-(2-hydroxy-6-methylphenyl)-3-methylpentane-1,5-dione
|
316.40
|
3.5
|
1
|
4
|
66.9
|
7
|
|
|
Epishionol
|
428.70
|
10.3
|
1
|
1
|
20.23
|
3
|
|
|
(1S,4S,5R,9S,10R,13S,14S)-14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
378.50
|
4
|
2
|
5
|
83.83
|
4
|
|
|
(6R,7R,10S,11R,14R,15S,20S)-7-ethenyl-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-diene
|
381.60
|
5.9
|
0
|
2
|
12.47
|
1
|
|
|
(+)-Homomoenjodaramine
|
440.70
|
6
|
0
|
3
|
15.71
|
2
|
|
|
(2R,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
|
330.40
|
2.2
|
2
|
4
|
70.67
|
1
|
|
|
(1R,13S,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-13,16,17-triol
|
305.32
|
0.1
|
3
|
6
|
82.39
|
0
|
|
|
2,6-Dimethyldecalin
|
166.30
|
5.1
|
0
|
0
|
0
|
0
|
|
|
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
604.80
|
5.4
|
5
|
8
|
136.68
|
3
|
|
|
1,2,3-Trihydroxy-5-methoxy-9H-xanthen-9-one
|
274.22
|
2.4
|
3
|
6
|
100.13
|
1
|
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