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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
Desoxygambogenin
600.80
9.2
2
6
93.06
9
Hanburin
600.80
9
2
6
93.06
9
Forbesione
464.50
5.4
2
6
93.06
4
Dihydroisomorellin
546.60
5.4
1
7
99.13
5
Dihydrosterculic acid
296.50
7.2
1
2
37.3
15
2-(3-(3-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)propoxy)phenyl)acetic acid hydrochloride
618.50
2
7
49.77
13
zerumin B
334.40
4.3
2
4
66.76
3
Cedrelanol
222.37
3.3
1
1
20.23
1
(6S,11S)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-8-en-11-ol
220.35
3.5
1
1
20.23
0
(2S,6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-2-ol
220.35
3.2
1
1
20.23
0
Karavilagenin B
472.70
6.8
2
3
49.69
5
Karavilagenin A
486.80
7.3
1
3
38.69
6
(3S,7S,8S,9R,10R,13R,14S,17R)-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
634.80
3.1
6
9
156.91
8
Kadsuralignan C
358.40
4.5
2
5
68.15
4
CID 16079976
512.60
2.8
2
8
127.2
5
methyl 2-[(2R,4S,5S,6R)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
266.29
0.4
2
5
75.99
4
Goniothalesacetate
338.40
0.5
1
7
91.29
8
(1As,3as,4r,5s,7as,7br)-4-[2-(3-furyl)ethyl]-4,5,7a,7b-tetramethyldecahydronaphtho [1,2-b]oxirene
302.50
5.2
0
2
25.67
3
[(1R,4R,6R,10S)-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methanol
236.35
2.5
1
2
32.76
1
[(1R,4S,6S,10S)-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-4-yl]methanol
236.35
2.5
1
2
32.76
1
4-[(E)-2-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol
394.50
7
3
4
69.92
7
4-[(2S,2aR,7aS)-6-hydroxy-4-methoxy-1,1-dimethyl-3-(3-methylbut-2-enyl)-2,2a,7,7a-tetrahydrocyclobuta[a]inden-2-yl]benzene-1,2-diol
394.50
5.8
3
4
69.92
4
4-[(12S,14S,15R)-9-methoxy-5,5,13,13-tetramethyl-6-oxatetracyclo[8.5.0.02,7.012,15]pentadeca-1,3,7,9-tetraen-14-yl]benzene-1,2-diol
392.50
5.2
2
4
58.92
2
Artochamin F
380.50
6.6
4
4
80.92
6
4-[(2S,2aR,7aS)-4,6-dimethoxy-1,1-dimethyl-3-(3-methylbut-2-enyl)-2,2a,7,7a-tetrahydrocyclobuta[a]inden-2-yl]benzene-1,2-diol
408.50
6.1
2
4
58.92
5
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