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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
|
236.35
|
3.3
|
0
|
2
|
26.3
|
5
|
|
|
(+)-(r)-3-Cyanomethyl-3-hydroxyoxindole
|
188.18
|
0.3
|
2
|
3
|
73.12
|
1
|
|
|
Nonioside A
|
410.40
|
-2.5
|
7
|
11
|
178.53
|
8
|
|
|
Methyl alpha-D-mannopyranoside
|
194.18
|
-2.2
|
4
|
6
|
99.38
|
2
|
|
|
methyl (1R,6S,7S,14R,15R,18S,21R,23R,24S)-6-(acetyloxymethyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1,10,15,18,21,24-hexamethyl-12-oxo-5,8-dioxahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-2,4(9),10-triene-21-carboxylate
|
732.90
|
8.6
|
1
|
10
|
126.82
|
8
|
|
|
(2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
|
591.70
|
3.1
|
4
|
7
|
138.1
|
8
|
|
|
5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
|
411.50
|
3.2
|
2
|
7
|
116.15
|
11
|
|
|
5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
|
439.60
|
4.3
|
2
|
7
|
116.15
|
13
|
|
|
5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
|
467.60
|
5.3
|
2
|
7
|
116.15
|
15
|
|
|
Picolinic acid
|
123.11
|
0.8
|
1
|
3
|
50.19
|
1
|
|
|
(4bS,5S,9bS,10S)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
|
454.50
|
4.6
|
6
|
6
|
121.38
|
2
|
|
|
(4R)-4-hydroxy-2-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-enyl]-5-methoxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
|
358.40
|
1.9
|
2
|
6
|
93.06
|
7
|
|
|
6-Hydroxy-4-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
|
242.27
|
2.8
|
1
|
3
|
46.53
|
1
|
|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6S)-6-butoxycarbonyl-4,5-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
851.10
|
6.1
|
7
|
14
|
221.9
|
11
|
|
|
(8R)-5-methoxy-2,2-dimethyl-8-phenyl-8H-pyrano[3,2-g]chromene-6,7-diol
|
352.40
|
3.6
|
2
|
5
|
68.15
|
2
|
|
|
Isopaynantheine
|
396.50
|
3.2
|
1
|
5
|
63.79
|
6
|
|
|
(2R)-2-[(1S)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14R,17S)-6,14,17-trihydroxy-5-methoxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
518.60
|
1.3
|
4
|
8
|
133.52
|
3
|
|
|
(2S,3R,6aS,7R,10aR)-3-hydroxy-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione
|
312.40
|
2.8
|
1
|
3
|
54.37
|
1
|
|
|
2-[4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
|
325.31
|
-1.4
|
4
|
8
|
132.4
|
5
|
|
|
2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
|
311.29
|
-1.7
|
5
|
8
|
143.4
|
4
|
|
|
4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
330.29
|
-1.5
|
5
|
9
|
145.91
|
5
|
|
|
2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
|
295.29
|
-0.2
|
4
|
7
|
123.17
|
4
|
|
|
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
1677.70
|
-6.5
|
23
|
41
|
647.11
|
23
|
|
|
4-[(1R,1aS,2aS,5R,5aR,7aS)-2a,7a-dimethyl-5-prop-1-en-2-yl-1a,2,3,4,5,5a,6,7-octahydro-1H-cyclopropa[f]azulen-1-yl]butan-2-one
|
288.50
|
5.9
|
0
|
1
|
17.07
|
4
|
|
|
4-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
|
504.60
|
-2.3
|
6
|
11
|
175.37
|
8
|
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