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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
(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol
254.36
1.3
2
3
49.69
0
(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol
270.36
0.3
3
4
69.92
0
(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol
236.35
1.9
2
2
40.46
0
(4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
234.33
1.6
1
2
37.3
1
(2S,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
238.37
2.5
2
2
40.46
1
(1R,4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalen-1-ol
236.35
1.6
2
2
40.46
1
Dide-O-methylgrandisin
404.50
3.7
2
7
86.61
6
[(3S,8R,9S,10R,12R,13S,14S,17S)-17-(1-acetyloxyethyl)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
945.10
4.9
3
16
196.36
15
[(3S,8S,9S,10R,12R,13S,14S,17S)-17-(1-acetyloxyethyl)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
961.10
3.7
4
17
216.59
15
(9R)-6,8-dihydroxy-2,2,4,4-tetramethyl-5-(3-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione
442.50
5.8
2
6
100.9
5
(5aR,10bR)-8,10-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3-dione
456.50
5.1
2
7
110.13
4
2,2,4,4,7,7,9,9-Octamethyl-5abeta-isopropyl-1,2,3,4,5a,7,8,9,10,10bbeta-decahydrobenzofuro[2,3-b]benzofuran-1,3,8,10-tetraone
428.50
4.1
0
6
86.74
1
(9Z,12S,13E,15Z)-12-hydroxyoctadeca-9,13,15-trienoic acid
294.40
4.8
2
3
57.53
13
3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypentanedioic acid
470.40
-1.1
6
12
200.28
11
(1R,5S,6S,7S)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
454.50
3.9
4
6
115.06
4
(2R,3R,4S,5S,6R)-2-[[(1R,4S,4aR,8aR)-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
400.50
0.7
5
7
119.61
4
(2R,3R,4S,5S,6R)-2-[[(1R,4S,4aR,8aR)-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
400.50
0.8
5
7
119.61
4
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
628.60
-0.3
6
16
221.52
13
[(1R,4S,6R,7R,11Z)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
459.90
1.5
1
9
119.44
3
Quercetin 3-arabinoside
434.30
1
7
11
190.28
4
2-[(1S,4S,4aS,8R,8aR)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
266.33
1.3
3
4
77.76
2
(2E,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-(hydroxymethyl)penta-2,4-dienoic acid
298.33
-0.4
4
6
107.22
4
2-(4-Hydroxyphenyl)propanoic acid
166.17
1.6
2
3
57.53
2
(E)-1-[(3S)-3-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one
208.30
2
1
2
37.3
2
[(1R,2R,3S,8R,10R,11R,15S,16S)-3-acetyloxy-15-[(3S,5R)-5-hydroxy-6-oxooxan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl] acetate
560.70
4.1
1
9
125.43
5
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