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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
3-[(1S,4R,5R,6R,8S,9S)-9-hydroxy-5,9-dimethyl-4-prop-1-en-2-yl-5-tricyclo[6.2.2.01,6]dodecanyl]propanoic acid
320.50
4.5
2
3
57.53
4
(2R,3R,4S,5S,6R)-2-[(E,3R)-3-hydroxydec-8-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
326.34
-0.7
5
7
119.61
6
(S)-(+)-Imperanene
330.40
3.1
3
5
79.15
7
2-[(1S,4S,5S,6R,9R)-5-(carboxymethyl)-5-methyl-10-methylidene-4-tricyclo[7.2.1.01,6]dodecanyl]-2-methylpropanoic acid
334.40
4.2
2
4
74.6
4
(1R,2R,5R,6R,8R,9S,10R,11S,12S)-12-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
350.40
1.1
3
6
104.06
2
(2S,3R,4S,5S,6R)-2-[(1S,2S,5R)-5-[(2R)-1,2-dihydroxypropan-2-yl]-2-hydroxy-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
366.40
-2.4
7
9
160.07
5
2,3-Dehydrokievitone hydrate
372.40
2.9
5
7
131.36
4
(2R,3R,4S,5S,6R)-2-[(1R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
374.50
0.2
5
7
119.61
6
(1S,2S,4S,7R,8S,11S)-6-acetyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
386.40
-0.7
1
7
97.66
3
Euglobal G2
386.50
5.2
2
5
83.83
4
Ajugarin-IV
406.50
4.1
0
6
78.9
7
(4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicene
410.70
10.7
0
0
0
0
(2S)-5,7-Dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3',4'-methylenedioxyflavanone
412.40
3.5
1
7
83.45
6
Isovouacapenol D
418.50
6.4
1
4
59.67
3
Azadirone
436.60
5.7
0
4
56.51
3
Biflavanone
446.50
5.2
0
4
52.6
3
1,2,8-trihydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]anthracene-9,10-dione
448.40
-0.1
7
11
194.21
4
(1S,3aR,5S,6S,6aR)-6-bromo-5-[1-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl]-1,4,4-trimethyl-2,3,3a,5,6,6a-hexahydropentalen-1-ol
464.30
5
2
2
40.46
2
2,2,4-Trimethylpentane
114.23
3.8
0
0
0
2
(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-3-[(3E,6R,7E)-6-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-4-methylcyclohexylidene]propanal
490.70
5.1
4
5
97.99
14
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-7,8-diacetyloxy-4,12,13-trihydroxy-5,9-dimethyl-2-prop-1-en-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
508.60
0.1
3
10
148.82
7
aristophenone A
534.70
8.4
3
6
111.9
7
bismorphine B
568.70
2.3
3
8
94.86
2
Glc(b1-2)[Xyl(b1-6)]Glc(b)-O-Ph(2-CH2OH)
580.50
-4.8
10
16
257.68
9
Cimilactone A
590.70
3.9
3
9
131.75
4
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