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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Occidiol
|
236.35
|
2.8
|
1
|
2
|
29.46
|
1
|
|
|
(3S)-3-(1,3-benzodioxol-5-ylmethyl)-3,7-dihydroxy-8-methoxy-2H-chromen-4-one
|
344.30
|
2
|
2
|
7
|
94.45
|
3
|
|
|
5-Methyl-4-(3-methylbut-2-enoxy)chromen-2-one
|
244.28
|
3.5
|
0
|
3
|
39.44
|
3
|
|
|
15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol
|
309.40
|
4.2
|
1
|
4
|
41.93
|
2
|
|
|
3-[[3-Methoxy-4,5-bis(trimethylsilyloxy)phenyl]methyl]-4-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]oxolan-2-one
|
590.90
|
|
0
|
7
|
72.45
|
12
|
|
|
(1R,2S,4S,6R,7S,10S)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
|
343.50
|
3.6
|
1
|
3
|
32.7
|
0
|
|
|
1-Bromo-4-cyclopropylbenzene
|
197.07
|
3.6
|
0
|
0
|
0
|
1
|
|
|
Echivulgarine
|
479.60
|
1.7
|
2
|
9
|
122.6
|
12
|
|
|
[(2R,3S,6R)-3-[(5R,7R,8R,9R,10S,11R,13S,17S)-7,11-dihydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)-5-oxooxan-2-yl] acetate
|
558.70
|
3.5
|
3
|
8
|
130.36
|
4
|
|
|
[(2R,3S,6R)-3-[(5R,8R,9R,10S,11R,13S,17S)-11,16-dihydroxy-4,4,8,10,13-pentamethyl-3,7-dioxo-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)-5-oxooxan-2-yl] acetate
|
572.70
|
2.1
|
3
|
9
|
147.43
|
4
|
|
|
(5aS,10bS)-7-butanoyl-8,10-dihydroxy-2,2,4,4-tetramethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3-dione
|
442.50
|
4.6
|
2
|
7
|
110.13
|
4
|
|
|
(6aS)-1,2,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
325.40
|
3.4
|
0
|
4
|
30.93
|
3
|
|
|
Muristerone a
|
496.60
|
-0.1
|
7
|
8
|
158.68
|
5
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-sulfooxyheptanimidothioate
|
403.50
|
0.6
|
5
|
11
|
199.79
|
10
|
|
|
Eriodictyol-8-glucoside
|
450.40
|
-0.4
|
8
|
11
|
197.37
|
3
|
|
|
3-hydroxy-5-methoxy-5-oxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid
|
474.40
|
-1.7
|
6
|
13
|
209.51
|
12
|
|
|
1-O-methyl 2-O,3-O-bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate
|
742.70
|
-2.4
|
9
|
19
|
297.89
|
18
|
|
|
(8R,13aS)-8-[(3,4-dihydroxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
|
421.40
|
3.2
|
6
|
7
|
124.62
|
2
|
|
|
(2S,4R,4aS,4bS,8aS,9S,10S)-4b,8,8-trimethyl-2-propan-2-yl-3,4,5,6,7,8a,9,10-octahydrophenanthrene-2,4,4a,9,10-pentol
|
354.50
|
1
|
5
|
5
|
101.15
|
1
|
|
|
8-[2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopenten-1-yl]octanoic acid
|
308.40
|
3.1
|
2
|
4
|
74.6
|
11
|
|
|
(5R)-3-methyl-6-[(4Z)-4-(4-methyl-5-oxopyrrol-2-ylidene)butyl]-1,6-diazaspiro[4.5]dec-3-en-2-one
|
315.40
|
1.8
|
2
|
3
|
61.44
|
4
|
|
|
[(4aR,6S,7R,7aS)-7-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] (2S,3R,4S)-4-(2,2-dihydroxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
544.50
|
-0.8
|
6
|
13
|
201.67
|
9
|
|
|
methyl (1R,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
630.60
|
-0.2
|
5
|
15
|
209.13
|
13
|
|
|
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
|
136.23
|
2.8
|
0
|
0
|
0
|
0
|
|
|
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
838.90
|
2.5
|
9
|
17
|
287.27
|
8
|
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