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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
(3aS,4S,5E,9E,11aS)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
248.32
1.9
1
3
46.53
0
[(1S)-1-[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-8,12,14,17-tetrahydroxy-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(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]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] benzoate
1117.20
-1.5
12
24
361.36
16
[(1S)-1-[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-12-acetyloxy-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(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]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] benzoate
1159.30
-1
11
25
367.43
18
[(1S)-1-[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-12-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-acetyloxy-4-methoxy-6-methyl-5-[(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]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] benzoate
1201.30
-0.4
10
26
373.5
20
[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3-[(2R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-acetyloxy-4-methoxy-6-methyl-5-[(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]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-17-[(1S)-1-benzoyloxyethyl]-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
1263.40
1.3
10
26
373.5
21
(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-ol
451.60
0.5
2
7
80.62
6
[(1R,3R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1R,3R,6S,8R,12R,13R,15R,16R)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl]butyl] acetate
660.80
3.4
4
10
155.28
8
3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
448.40
0.9
7
11
190.28
3
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
901.00
0.3
10
18
276.14
9
(1S,9R,13S,21R)-10,22-dimethyl-8,10,20,22-tetrazahexacyclo[11.11.0.01,21.02,7.09,13.014,19]tetracosa-2,4,6,14,16,18-hexaene
346.50
3.9
2
4
30.54
0
31-Norlanosterol
412.70
8.5
1
1
20.23
4
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(12R)-12-hydroxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl]oxy]oxane-3,4,5-triol
460.50
2.6
5
8
128.84
3
[(1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-1,14-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
500.80
7.6
2
4
66.76
2
(E)-Ginsenoside F4
767.00
4.5
8
12
198.76
8
(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
226.23
0.6
2
5
68.15
3
(2S)-5,7-dihydroxy-2-(2-hydroxy-4,6-dimethoxyphenyl)-2,3-dihydrochromen-4-one
332.30
2.3
3
7
105.45
3
5-[(2R)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-2-methylcyclohex-2-en-1-one
252.35
2.1
2
3
57.53
5
[(1S,8'R)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate
411.40
2.9
0
7
66.46
4
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-1,3,3-trimethylcyclohexene
534.90
14.6
0
0
0
12
Cholesteryl laurate
569.00
14.3
0
2
26.3
17
7-epi-Vogeloside
388.40
-0.9
4
10
144.14
5
methyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
758.70
-2.1
8
19
286.89
16
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4-diol
286.28
2.3
2
5
68.15
1
(4aR)-6,7,10-trihydroxy-1,1,4a-trimethyl-5-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
330.40
4.9
3
4
77.76
1
[2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
404.40
2.2
3
8
114.68
10
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