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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3E)-3-(methoxymethylidene)pyrrolidine-2-thione
|
143.21
|
0.4
|
1
|
2
|
53.35
|
1
|
|
|
4,5-Dihydro-6-methoxy-1,3-oxazepin-2(3H)-one
|
143.14
|
0.1
|
1
|
3
|
47.56
|
1
|
|
|
1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 1,2,3,8,13,13a-hexahydro-1,8-dimethyl-, (8R,13aS)-
|
303.40
|
2.9
|
0
|
2
|
21.06
|
0
|
|
|
(-)-Corlumine
|
383.40
|
2.7
|
0
|
7
|
66.46
|
3
|
|
|
methyl (1S,4aS,5S,6R,7R,7aR)-6-benzoyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
510.50
|
-0.1
|
5
|
12
|
181.44
|
8
|
|
|
methyl (1S,4aS,5S,6R,7R,7aR)-5-hydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
566.50
|
0.3
|
5
|
13
|
190.67
|
10
|
|
|
(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-ol
|
306.50
|
4.3
|
2
|
2
|
40.46
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4,8,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
468.60
|
2.7
|
5
|
7
|
119.61
|
7
|
|
|
(1S,2S,5R,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
|
238.37
|
2.9
|
2
|
2
|
40.46
|
0
|
|
|
5-Methoxy-2-(5-prop-1-enyl-1-benzofuran-2-yl)phenol
|
280.30
|
4.6
|
1
|
3
|
42.6
|
3
|
|
|
5-[7-(3,7-Dimethylocta-2,6-dienyl)-6-methoxy-1-benzofuran-2-yl]benzene-1,3-diol
|
392.50
|
7
|
2
|
4
|
62.83
|
7
|
|
|
3-[(2S,3S,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
610.50
|
-0.7
|
10
|
16
|
269.43
|
6
|
|
|
Evobioside
|
682.80
|
0.5
|
7
|
13
|
204.83
|
6
|
|
|
Ajugareptansone B
|
446.50
|
1.5
|
0
|
8
|
108.5
|
8
|
|
|
3-[(3S,5S,8S,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
390.50
|
1.4
|
3
|
5
|
86.99
|
2
|
|
|
Cyclopenta(c)pyran-4-carboxaldehyde, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-, (1S,4aR,7S,7aR)-
|
360.36
|
-1.3
|
5
|
9
|
145.91
|
4
|
|
|
Nona-2,4,6-trienal
|
136.19
|
2.3
|
0
|
1
|
17.07
|
4
|
|
|
Augustine
|
301.34
|
1.4
|
0
|
5
|
43.46
|
1
|
|
|
[(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-acetyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-2-yl]methyl acetate
|
540.80
|
7.5
|
0
|
5
|
69.67
|
5
|
|
|
Bryonolol
|
442.70
|
7.3
|
2
|
2
|
40.46
|
1
|
|
|
(2R,4aS,6aS,8aR,12aS,14aS,14bR)-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,13,14,14b-dodecahydro-1H-picene-2-carboxylic acid
|
454.70
|
6.9
|
1
|
3
|
54.37
|
1
|
|
|
(1R,2S,5R,8S,9R,15S,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone
|
526.50
|
-0.2
|
2
|
10
|
145.66
|
0
|
|
|
(14S,15S,19S)-14-[(10S,11S)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-2,3,4,7,8,9,19-heptahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
|
784.50
|
0.1
|
14
|
22
|
388.42
|
1
|
|
|
(1R,2R,3S,6S,7S,10S)-2-ethyl-6-methyl-10-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.03,7]hexadecane-5,8,16-trione
|
405.50
|
2.1
|
0
|
6
|
89.98
|
2
|
|
|
Furo(2,3-b)quinolin-4(9H)-one, 9-ethyl-7-methoxy-
|
243.26
|
2.9
|
0
|
4
|
44.37
|
2
|
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