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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
(3S,3aS,7R,10Z,11aS)-7-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
250.33
1.9
1
3
46.53
0
28-Demethyl-beta-amyrone
410.70
8.4
0
1
17.07
0
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-one
410.70
9.2
0
1
17.07
1
Entadamide-A-beta-D-glucopyranoside
323.36
-2
5
8
153.78
7
Quercetin 3-O-Glc-(1 inverted exclamation marku2)-Rha-7-O-Rha
756.70
-2
12
20
328.35
8
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2E,6E,10E)-12-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1119.20
-4.9
16
28
434.44
22
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
917.10
0.9
10
18
276.14
13
methyl (4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
518.70
5.2
4
6
107.22
3
methyl (1S,2R,4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
518.70
5.1
4
6
107.22
3
3-[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]-3-(4-hydroxyphenyl)propanoic acid
614.50
-0.1
10
14
262.74
8
10-hydroxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzo[g]isochromen-1-one
566.50
-0.6
8
14
228.97
6
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
903.10
0.4
11
18
287.14
12
[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-benzoylamino]-3-phenylpropyl] acetate
444.50
4.2
1
4
89.7
11
CID 101617533
420.50
0.6
2
8
118.73
4
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
756.70
-2.5
12
20
328.35
9
[(1R,2R,3R,5S,9R,10S,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate
324.40
1.5
1
6
85.36
2
(2S,4aS,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol
220.35
4.1
1
1
20.23
1
[(2S,4aS,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl] 3-hydroxy-3-methylbutanoate
320.50
4.5
1
3
46.53
5
Isoneobavaisoflavone
322.40
3.8
1
4
59.67
1
Serratol
290.50
4.8
1
1
20.23
1
Methoxybrassenin A
280.40
3.9
0
4
77.12
5
(1S,3R,5S,6R,8R,10S,12R,14R,15S,18R,19R,21R,22S,23R)-5,6,21,22-tetrahydroxy-8,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
548.60
0
4
10
151.98
2
(1S,2R,6S,9R,11S,13S)-9,13-dimethyl-5-methylidene-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
232.32
3.7
0
2
26.3
0
(1S,2R,5R,6S,9R,11S,13S)-5,9,13-trimethyl-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
234.33
3.8
0
2
26.3
0
(1S,2R,5S,6S,9R,11S,13S)-5,9,13-trimethyl-3-oxatetracyclo[7.4.0.02,6.011,13]tridecan-4-one
234.33
3.8
0
2
26.3
0
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