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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
Thiiraneacetonitrile
99.16
0.4
0
2
49.09
1
Thiiranebutanenitrile
127.21
1.1
0
2
49.09
3
(2R)-2-methyl-2H-thiopyran
112.19
2.1
0
1
25.3
0
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone
346.30
2.5
4
8
129.59
3
(2S)-5-Methoxyflavan-7-ol
256.30
3.4
1
3
38.69
2
Dracoflavan A
794.90
10
3
10
133.14
12
CID 14886031
784.50
0
13
22
385.24
8
1,3,6-Trihydroxy-5-methoxy-2-prenylxanthone
342.30
4.3
3
6
100.13
3
toxyloxanthone B
326.30
3.4
3
6
100.13
0
2-Cyclopentenone, 2-hydroxy-5-methyl-
112.13
1
1
2
37.3
0
3,6,7,4'-Tetramethoxyflavone
342.30
3.3
0
6
67.13
5
14,15-Dimethoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
323.30
3.1
1
5
66.02
2
5-Hydroxy-3,7,8,2'-tetramethoxyflavone
358.30
3.5
1
7
87.36
5
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
656.50
-1.6
12
19
326.96
7
HYPOLAETIN 8-O-beta-D-GLUCURONIDE
478.40
0.4
8
13
227.58
4
(1S,2S,7R,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-4,11,15-trimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
394.50
2.6
1
6
74.22
3
[(1S,2S,4S,7R,9R,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
528.60
3.9
0
9
106.59
5
(1S,2S,6S,7S,9R,11R,13S,14R,15S,16S,17S)-11,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
394.50
2.4
2
6
85.22
2
[(1S,2S,8R,9S,27R,29S,30R,39R)-1,2,14,15,16,19,20,21,35,36-decahydroxy-3,6,11,24,32-pentaoxo-2-(2-oxopropyl)-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-29-yl] 3,4,5-trihydroxybenzoate
992.70
0.2
13
27
447.09
5
6-Demethylvignafuran
256.25
3.2
2
4
62.83
2
6-[(8a-Carboxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
616.80
4.9
5
9
153.75
4
6-[[4,4,6a,6b,14b-Pentamethyl-11-methylidene-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
778.90
3.1
8
14
232.9
7
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
780.90
1.6
9
14
236.06
8
6-[[8a-Carboxy-4-(hydroxymethyl)-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
632.80
3.6
6
10
173.98
5
(1R,4S,5R,8R,10S,13R,14R,20S)-10-hydroxy-4,5,9,9,13,20-hexamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracos-17-en-22-one
440.70
6.2
1
3
46.53
0
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