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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
Demethylcantharidate (disodium)
230.13
0
5
89.49
2
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
562.50
-1.1
6
13
197.74
7
(2S)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
470.60
4.6
3
7
105.45
9
Azedarachol
420.60
4.6
3
5
86.99
4
[(3aR,5S,8R,9E,11aS)-5-hydroperoxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
322.40
1.4
1
6
82.06
3
(2R,3R,5S,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
550.60
-0.2
5
10
162.98
4
[(1S,4R,5S,8R,9R,12S,13R,14S,18R,21R)-5,21-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-13-yl]methyl acetate
516.60
1.5
2
9
124.66
4
3,8-dimethoxy-2-methyl-5-(5-phenylpentyl)-1H-quinolin-4-one
365.50
5.9
1
4
51.32
8
(5S)-5-[(5S)-5-hydroxy-5-phenylpentyl]-1,3-dimethoxy-2-methyl-5,6,7,8-tetrahydroquinolin-4-one
385.50
4.5
1
5
60.69
8
[(3aR,5S,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
306.40
1.4
1
5
72.83
2
methyl 3-[(1S,2S,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-6-oxo-2-prop-1-en-2-yl-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
502.70
3.6
3
6
104.06
6
(3aR,4aR,8R,8aS,9aS)-4a-hydroperoxy-8-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
280.32
1
2
5
75.99
1
Momilactone A
314.40
3.8
0
3
43.37
1
(1R,2S,6R,7S,8S,9S,12S,13R,16S,18R,19R)-16-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,8,18,19-tetrol
1245.40
-5.2
18
29
465.67
16
3-[(1S)-2-[(1S,3aR,4S,5R,7aR)-1,4,5,7a-tetramethyl-2-oxo-1,3,3a,5,6,7-hexahydroinden-4-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
336.40
2.5
2
5
83.83
3
(1R,9S,10R,16R)-16-(hydroxymethyl)-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
274.36
0.1
3
3
65.12
1
methyl 3-[(1R,4S,4aR,4bR,6aR,10aS,12aR)-4,6a-dihydroxy-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
504.70
3.5
3
6
104.06
5
3-methoxy-2-methyl-6-(9-phenylnonyl)-1H-pyridin-4-one
341.50
6.5
1
3
42.09
11
[(2R,4aS,8S,8aR)-5-[2-(furan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
374.50
3.4
1
5
76.74
5
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-14-[(E)-3-phenylprop-2-enoyl]oxy-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] benzoate
706.80
6.5
0
9
110.5
11
(1S,4aS,7R,8aR)-4-[2-(furan-3-yl)ethyl]-1,7-dihydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
332.40
2.8
2
4
70.67
3
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
632.80
5.3
5
9
153.75
4
[(1S,2S,4R,11R,12S,14R,15R,16S)-15-hydroxy-16-methyl-3-oxa-7-azapentacyclo[9.6.0.01,7.02,4.02,14]heptadecan-12-yl] 3-(4-hydroxyphenyl)propanoate
427.50
2.8
2
6
82.53
5
H-Lys-Cys(1)-Ser-Pro-Ser-Gly-Ala-Ile-Cys(2)-Ser-Gly-Phe-Gly-Pro-Pro-Glu-Gln-Cys(3)-Cys(1)-Ser-Gly-Ala-Cys(2)-Val-Pro-His-Pro-Ile-Leu-Arg-Ile-Phe-Val-Cys(3)-Gln-OH
3587.20
-10.5
43
54
1481.57
43
[(3S)-2-[(1S,2R,4S,6S)-2,4-diacetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
448.50
3.7
0
8
108.5
11
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