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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
(2R,4aS,6aS,6aR,6bS,8aS,9R,11S,12aS,14aS,14bR)-11-hydroxy-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid
472.70
7.6
2
4
74.6
1
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
937.10
-0.8
13
20
327.6
13
Terrestrosin K
1079.20
-2.9
14
24
383.36
16
(6aS,11aS)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
438.50
5
3
6
88.38
5
(1R,12R)-7-(2-hydroxypropan-2-yl)-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-ol
340.40
2.6
2
5
68.15
1
(2Z)-6-hydroxy-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-methoxy-5-methyl-1-benzofuran-3-one
328.30
3.2
2
6
85.22
3
[(1R,4S,5S,6R)-5-benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl] benzoate
382.40
1.9
1
7
99.13
6
1,2,4a,5,6,8a-Hexahydro-1-isopropyl-4,7-dimethylnaphthalene
204.35
4.1
0
0
0
1
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
548.60
-1
7
13
212.67
9
methyl (1S,4aS,6S,7R,7aS)-6-[(1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
732.70
-1
8
18
269.82
11
methyl (1S,4aS,6S,7R,7aS)-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
556.60
0.8
5
12
181.44
12
4-[[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-5-(2-methylpropanoyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
568.70
7.6
5
8
152.36
11
[(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] 4-hydroxybenzoate
592.60
3.9
1
10
141.87
4
[(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] 4-methoxybenzoate
606.70
4.2
0
10
130.87
5
(3R)-5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
406.40
0.8
4
9
134.91
4
(3I(2),16I(2),23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-6-O-acetyl-I(2)-D-glucopyranosyl-(1a3)]-I+/--L-arabinopyranoside
1087.20
0.6
10
22
320.9
12
(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-[(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-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
1045.20
0.5
11
21
314.83
10
11alpha-Hydroxy-5alpha-androstane-3,17-dione
304.40
2.4
1
3
54.37
0
Cyanidin 3-O-beta-(3''-O-beta-D-glucosyl-glucoside)
611.50
11
15
270.75
7
(1S,3R,5S,7R,8S,9R,10S,12R,14R,15S,18R,19R,22S,23R)-8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde
548.60
0
4
10
151.98
2
(1R,17S)-4-ethyl-7,17-dihydroxy-7,14-dimethyl-6-methylidene-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
366.40
0
2
6
93.06
1
2-[(1R,3S)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]cyclopent-2-en-1-one
220.31
1.8
0
2
34.14
4
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-5-hydroxy-15-[(1R)-1-hydroxy-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
486.60
2.6
3
7
116.59
3
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(4S)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
472.60
3.8
2
6
96.36
2
2-[(1R)-1-[(5S,9S,10R,13R,14S,17S)-5,14-dihydroxy-10,13-dimethyl-1-oxo-4,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
470.60
2
3
6
104.06
2
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