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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
(2S,3R,4S,5R)-2-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-3,4,5-triol
590.80
4.9
5
7
119.61
3
Salannal
612.70
3.4
1
10
138.57
10
methyl (1S,4aR,6S,7R,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
762.70
1.8
1
18
232.02
19
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
720.70
1.3
2
17
225.95
17
[(1R,2S,4aR,6aR,7S,10aR,11aS,11bS)-1-acetyloxy-4a,7,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate
466.50
0.6
3
9
139.59
4
(1S,3R,4aS,6aS,10aR,10bR)-3-ethenyl-1-hydroxy-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3.1
1
3
46.53
1
(1R,3R,4aS,6aS,10aR,10bR)-3-ethenyl-1-hydroxy-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3.1
1
3
46.53
1
(4aS,5R,8aS)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydronaphthalen-2-one
304.50
4.2
1
2
37.3
4
(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
218.33
2.4
0
1
9.23
0
Guaia-3,10(14)-dien-11-ol
220.35
2.5
1
1
20.23
1
(1S,2S,6S,7S,9R,13S,17S)-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
358.40
2.2
0
5
69.67
1
(1S,2S,4S,6R,7S,9R,13S,17S)-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
360.40
2
0
5
69.67
1
[(1S,2S,4S,7S,8R,9S,10S,11R,12R,18S,19R,20S)-9,10,20-triacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-19-yl] acetate
672.70
2.7
0
14
183.47
9
Heterophylol
408.50
6.1
1
4
47.92
4
N-Caffeoylalanine
327.30
2.3
4
5
106.86
6
Caffeoyltryptophan
366.40
2
5
5
122.65
6
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-4-methoxy-5-methyl-1-benzofuran-3-one
314.29
2.9
3
6
96.22
2
2-Propanol,1-chloro-3-[(phenylmethyl)amino]-
199.68
1.3
2
2
46.25
4
(S)-8-Prenylphaseollinisoflavan
392.50
5.8
2
4
58.92
3
Hispaglabridin B
390.50
5.2
1
4
47.92
1
3'-Methoxyglabradin
354.40
3.9
2
5
68.15
2
beta Farnesene
206.37
6.2
0
0
0
7
3-Dodecanone
184.32
4.6
0
1
17.07
9
3,4-Dihydroxy-2,5-bis(3-methylbut-2-enyl)benzaldehyde
274.35
4.5
2
3
57.53
5
Gulonic acid
196.16
-3.4
6
7
138.45
5
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