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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
Epimagnolin A
416.50
2.9
0
7
64.61
7
3-Oxoalloalantolactone
248.32
2
0
3
43.37
0
Umbellifolide
264.32
1.2
0
4
60.44
4
[(1S,3S,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
530.60
2.6
2
9
128.59
5
(1-Acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl) benzoate
530.60
2.6
2
9
128.59
5
[(1S,3R,4aS,6S,6aS,7R,8R,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
530.60
2.6
2
9
128.59
5
[(1S,3R,4aS,6S,6aS,7R,8S,10aS,10bS)-1-acetyloxy-7,8-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
530.60
2.6
2
9
128.59
5
[(1S,3S,4aS,6S,6aS,7R,8R,10aS,10bS)-1,8-diacetyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl] benzoate
572.60
3.2
1
10
134.66
7
(1,8-Diacetyloxy-7-hydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[1,2,5,6,8,9,10,10a-octahydrobenzo[f]chromene-3,4'-oxolane]-6-yl) benzoate
572.60
3.2
1
10
134.66
7
ent-17-Hydroxykaur-15-en-19-oic acid
318.40
4.2
2
3
57.53
2
4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde
360.36
-1.3
5
9
145.91
4
Delphisine
521.60
1.1
1
9
103.76
9
Stizophyllin
344.40
0.8
3
4
77.76
1
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-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
486.70
7
2
4
66.76
3
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-acetyloxy-9-(acetyloxymethyl)-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
570.80
7.6
0
6
78.9
7
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-acetyloxy-9-(acetyloxymethyl)-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
570.80
7.6
0
6
78.9
7
15-[1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dien-6-amine
398.70
5.8
1
2
15.27
3
19S-hydroxy-(+)-vincadifformine
354.40
2.3
2
5
61.8
3
19-O-acetylhorhammericine
411.50
2
2
6
81.6
5
3beta-Hydroxyparthenolide
264.32
1.4
1
4
59.06
0
(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R,20S)-10-[(2S,3R,4R,5S)-5-[(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-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
1061.20
-1.1
12
22
342.9
11
CID 138911429
377.50
1.1
3
5
73.16
2
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
0.8
6
12
188.51
6
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
0.8
6
12
188.51
6
(1S)-4alpha-Ethenyl-2alpha-hydroxy-3beta-[1-(hydroxymethyl)ethenyl]-6alpha-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy
380.40
1.7
3
7
113.29
10
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