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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Dilaspirolacton
|
484.40
|
-2.5
|
6
|
13
|
201.67
|
4
|
|
|
Pyrrolidine-1-carboxamide
|
114.15
|
-0.2
|
1
|
1
|
46.33
|
0
|
|
|
Prazerigenin A
|
430.60
|
4.4
|
2
|
4
|
58.92
|
0
|
|
|
[(5S,6R,7S,8R,9R,10R,13S,17R)-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
|
452.60
|
4.7
|
1
|
5
|
76.74
|
3
|
|
|
6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone
|
434.40
|
3.7
|
1
|
9
|
101.91
|
10
|
|
|
Kielcorin
|
436.40
|
3.2
|
2
|
8
|
107.59
|
4
|
|
|
alpha-Pedunculagin
|
784.50
|
0.9
|
13
|
22
|
377.42
|
0
|
|
|
[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
|
456.70
|
9.7
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
|
456.70
|
9.7
|
0
|
2
|
26.3
|
7
|
|
|
1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
|
150.13
|
1
|
0
|
3
|
43.37
|
0
|
|
|
Chlormequat chloride
|
158.07
|
|
0
|
1
|
0
|
2
|
|
|
4-Methoxyindole
|
147.17
|
2.7
|
1
|
1
|
25.02
|
1
|
|
|
N-Methylmescaline
|
225.28
|
1.2
|
1
|
4
|
39.72
|
6
|
|
|
Methyl demethoxycarbonylchafruticosinate
|
352.40
|
2
|
1
|
5
|
58.64
|
2
|
|
|
1,3-Pentadiyne
|
64.08
|
1.3
|
0
|
0
|
0
|
1
|
|
|
(3S,4S,10S,13R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.4
|
1
|
1
|
20.23
|
5
|
|
|
(2R,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3S,4R,5R)-3,4-dihydroxy-5-[[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]oxane-3,4,5-triol
|
1343.50
|
-2.7
|
18
|
30
|
474.9
|
20
|
|
|
CID 138392197
|
374.40
|
1.9
|
0
|
7
|
92.04
|
3
|
|
|
(5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-1-en-3-one
|
292.40
|
3.4
|
2
|
4
|
66.76
|
9
|
|
|
(3R,3aR,5aR,8R,9bR)-3a,8-dihydroxy-3,5a,9-trimethyl-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one
|
266.33
|
0.5
|
2
|
4
|
66.76
|
0
|
|
|
magnesium;(E)-[22-(2-carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaen-12-ylidene]methanolate
|
629.00
|
|
1
|
10
|
154.91
|
7
|
|
|
Sodium N-(3-arsonophenyl)ethanimidate
|
281.07
|
|
2
|
5
|
92.95
|
2
|
|
|
[(1R,3aR,5R,7S,7aS)-1-[(1R)-1-acetyloxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
|
390.50
|
4.1
|
0
|
5
|
69.67
|
8
|
|
|
(e)-2,4-Bis(p-hydroxyphenyl)-2-butenol
|
256.30
|
3.1
|
3
|
3
|
60.69
|
4
|
|
|
(1R,3R,6S,8S,10R,11R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
408.40
|
0.6
|
2
|
9
|
128.59
|
1
|
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