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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenol
|
300.30
|
3.7
|
1
|
4
|
47.92
|
4
|
|
|
Nonan-3-yl acetate
|
186.29
|
4
|
0
|
2
|
26.3
|
8
|
|
|
Alangine
|
303.40
|
2.4
|
2
|
4
|
52.93
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R)-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
309.31
|
-3
|
7
|
9
|
151.87
|
4
|
|
|
Pancixanthone A
|
312.30
|
4.4
|
3
|
5
|
90.9
|
2
|
|
|
(13aR)-12-ethenyl-2-hydroxy-3-methoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
|
322.40
|
2.3
|
1
|
4
|
62.66
|
2
|
|
|
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]oxolan-2-one
|
328.40
|
3.3
|
2
|
5
|
75.99
|
5
|
|
|
3-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
|
334.40
|
2.9
|
1
|
4
|
63.6
|
3
|
|
|
Tumonoic acid A
|
339.50
|
4
|
2
|
4
|
77.84
|
10
|
|
|
Kushenol S
|
340.40
|
4.3
|
3
|
5
|
86.99
|
3
|
|
|
1,3,6-Trihydroxy-5-methoxy-4-(3-methylbut-2-enyl)xanthen-9-one
|
342.30
|
4.3
|
3
|
6
|
100.13
|
3
|
|
|
Draconin A
|
865.00
|
1.1
|
5
|
17
|
235.43
|
10
|
|
|
9Z,12Z-octadecadienoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester
|
883.40
|
21.7
|
0
|
6
|
78.9
|
52
|
|
|
1-[(2'S,3S,4'R,5R,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
|
1225.30
|
-4.8
|
16
|
28
|
442.28
|
18
|
|
|
Yunbnnzsauthaw-qlsgohfrsa-
|
1457.30
|
-0.4
|
14
|
35
|
516.25
|
32
|
|
|
Dihydropulegon
|
154.25
|
2.7
|
0
|
1
|
17.07
|
1
|
|
|
(5S)-5-phenyl-1,3-oxazolidin-2-one
|
163.17
|
1.2
|
1
|
2
|
38.33
|
1
|
|
|
Methyl 4-oxooctanoate
|
172.22
|
1.2
|
0
|
3
|
43.37
|
7
|
|
|
(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
|
188.26
|
0.4
|
3
|
3
|
60.69
|
5
|
|
|
alpha-Selinene
|
204.35
|
5.2
|
0
|
0
|
0
|
1
|
|
|
1H-Pyrido[3,4-b]indole-1,3 4(2H,9H)-trione
|
214.18
|
1.1
|
2
|
3
|
79.03
|
0
|
|
|
alpha-Agarofuran
|
220.35
|
3
|
0
|
1
|
9.23
|
0
|
|
|
2-Cyclohexen-1-one, 6-(1,5-dimethyl-4-hexenyl)-3-methyl-
|
220.35
|
4.1
|
0
|
1
|
17.07
|
4
|
|
|
(11R)-dihydroartemisinic aldehyde
|
220.35
|
3.8
|
0
|
1
|
17.07
|
2
|
|
|
(5R,9S)-9-ethenyl-9-methyl-2-propan-2-yl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
|
236.26
|
2.4
|
0
|
4
|
52.6
|
2
|
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