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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-(Hydroxymethyl)-1,5,5-trimethylbicyclo[2.1.1]hexan-2-one
|
168.23
|
0.9
|
1
|
2
|
37.3
|
1
|
|
|
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-2,6,6-trimethylpyran-3-one
|
250.33
|
2.1
|
0
|
3
|
35.53
|
2
|
|
|
CID 101638269
|
236.35
|
2.2
|
1
|
2
|
37.3
|
2
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bS)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
957.10
|
1.3
|
11
|
19
|
312.05
|
9
|
|
|
5-[(E)-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene]-hydroxymethyl]-6-hydroxy-2-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
|
593.50
|
-2.2
|
12
|
15
|
277.93
|
6
|
|
|
Vincosamide
|
498.50
|
0.4
|
5
|
8
|
144.71
|
4
|
|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.9
|
1
|
1
|
20.23
|
5
|
|
|
(3R)-10,10-dimethyl-2,6-dimethylidenebicyclo[7.2.0]undecan-3-ol
|
220.35
|
3.3
|
1
|
1
|
20.23
|
0
|
|
|
methyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
|
292.37
|
1.7
|
0
|
3
|
49.85
|
3
|
|
|
(3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
664.80
|
3.4
|
7
|
11
|
194.21
|
5
|
|
|
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
538.60
|
0.1
|
6
|
10
|
166.14
|
4
|
|
|
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
566.60
|
-1.2
|
6
|
11
|
183.21
|
5
|
|
|
[(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-yl] acetate
|
331.40
|
2.5
|
0
|
5
|
48
|
3
|
|
|
(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylic acid
|
322.31
|
0.2
|
5
|
7
|
135.29
|
4
|
|
|
2(5H)-Furanone, 5-hydroxy-4-(7-hydroxy-2H-1-benzopyran-3-yl)-5-methyl-
|
260.24
|
0.6
|
2
|
5
|
75.99
|
1
|
|
|
(Z)-3-(7-hydroxy-2H-chromen-3-yl)-4-oxohex-2-enedioic acid
|
304.25
|
0.6
|
3
|
7
|
121.13
|
5
|
|
|
(11S,12R,13S,14R,17S,18S)-17-ethyl-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraene-11,14-diol
|
342.40
|
1.3
|
3
|
4
|
66.65
|
1
|
|
|
(1R,4E,9S)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-4-carbaldehyde
|
218.33
|
3.6
|
0
|
1
|
17.07
|
1
|
|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
708.90
|
2.1
|
6
|
12
|
176.76
|
4
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
738.90
|
2
|
7
|
13
|
196.99
|
5
|
|
|
(2S)-1-[[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydrobenzo[g][1]benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid
|
349.50
|
-0.3
|
2
|
5
|
70
|
3
|
|
|
2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2)(E),7I+/-,7aI+/-]]-
|
348.50
|
4.1
|
1
|
4
|
63.6
|
6
|
|
|
2-Butenoic acid, 2-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2)(Z),7I+/-,7aI+/-]]-
|
376.50
|
3.5
|
0
|
5
|
69.67
|
7
|
|
|
2-Butenoic acid, 3-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2),7I+/-,7aI+/-]]-
|
376.50
|
3.7
|
0
|
5
|
69.67
|
7
|
|
|
[(1R,4S,4aS,5S,7R,8aR)-4-[(1R)-1-acetyloxyethyl]-1-(2-methylbutanoyloxy)-8-methylidene-3-oxo-5-propan-2-yl-4,4a,5,6,7,8a-hexahydro-1H-isochromen-7-yl] (E)-3-methylpent-2-enoate
|
506.60
|
5.7
|
0
|
8
|
105.2
|
12
|
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