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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-carboxy-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]-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
1133.20
|
1
|
14
|
25
|
408.27
|
13
|
|
|
(1R,2R,10S,13R)-15-(hydroxymethyl)-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-en-11-one
|
261.36
|
0.5
|
1
|
3
|
40.54
|
1
|
|
|
(1R,2R,5S,10R,11R,14R,15S,18S,23S)-2,7,7,10,14,15,21,21-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
|
512.80
|
7.8
|
1
|
4
|
55.76
|
1
|
|
|
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-12-benzoyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-14-yl] benzoate
|
680.80
|
6.1
|
0
|
9
|
110.5
|
10
|
|
|
[(1S,3S,3aR,5R,7S,7aS)-1-[(1S)-1-acetyloxyethyl]-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
|
490.60
|
5.6
|
0
|
7
|
95.97
|
12
|
|
|
(1S,4S,5S,9R,10S,13S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
|
302.50
|
4.5
|
1
|
2
|
37.3
|
1
|
|
|
(1R,3S,4S,5S,6R,10R,11S,12S,13R,17R,18S,19S,20R)-4,5,18,19,20-pentahydroxy-3-(hydroxymethyl)-11,12-bis(4-hydroxyphenyl)-2,8,15,21,22-pentaoxatetracyclo[15.3.1.13,6.010,13]docosane-9,14-dione
|
634.60
|
-1.6
|
8
|
15
|
242.13
|
3
|
|
|
(E)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
|
464.40
|
1
|
7
|
11
|
186.37
|
7
|
|
|
[(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate
|
796.70
|
-1.5
|
9
|
20
|
303.19
|
12
|
|
|
4-acetyl-4-hydroxyheptane-2,6-dione;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
|
660.80
|
|
2
|
12
|
193.24
|
12
|
|
|
7-(3,5-Dimethoxyphenyl)-2-methoxy-3-methyl-4,9,10,11-tetrahydrocyclohepta[f]quinolin-1-one
|
391.50
|
4.9
|
1
|
5
|
60.55
|
4
|
|
|
[(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (E)-3-phenylprop-2-enoate
|
674.80
|
5.2
|
3
|
10
|
144.28
|
12
|
|
|
6-dodecyl-3-methoxy-2-methyl-1H-pyridin-4-one
|
307.50
|
6.7
|
1
|
3
|
42.09
|
12
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5R)-3-(furan-3-yl)-5-methoxy-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] benzoate
|
692.80
|
4.5
|
0
|
11
|
136.8
|
13
|
|
|
(1R,4aR,6aR,6bS,8aR,12aS,14R,14aS,14bS)-1,8a-dihydroxy-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione
|
486.70
|
3.9
|
2
|
5
|
83.83
|
1
|
|
|
(1S,10R,11S,13S,14R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol
|
263.37
|
1
|
2
|
3
|
43.7
|
0
|
|
|
[(1S,2S,4R,11R,12S,14R,16S)-14-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
|
2.7
|
2
|
6
|
82.53
|
5
|
|
|
[(2R,4aS,8S,8aR)-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
|
390.50
|
2.7
|
1
|
6
|
89.9
|
5
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-8a-hydroxy-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]-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
|
943.10
|
1.3
|
11
|
19
|
312.05
|
9
|
|
|
H-Cys(1)-Thr-Pro-Ser-Gly-Thr-Ile-Cys(2)-Ser-Pro-Glu-Ala-Pro-Glu-Gln-Cys(3)-Cys(1)-Ser-Asn-Ser-Cys(2)-Val-Pro-His-Gln-Trp-Leu-Arg-Ile-Phe-Val-Cys(3)-Ala-OH
|
3562.10
|
-10
|
46
|
56
|
1542.78
|
42
|
|
|
[(3aR,6R,8R,9E,11aS)-10-methyl-3-methylidene-2,5-dioxospiro[3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6,2'-oxirane]-8-yl] acetate
|
320.30
|
0.8
|
0
|
6
|
82.2
|
2
|
|
|
[(3aR,5S,8R,9E,11aS)-8-acetyloxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-5-yl] acetate
|
348.40
|
1.9
|
0
|
6
|
78.9
|
4
|
|
|
(1S,2R,3R,4S,5R,9S,10S,13S)-2,3-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
334.40
|
2.9
|
3
|
4
|
77.76
|
1
|
|
|
(5R)-2-(hydroxymethyl)-1,3-dimethoxy-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-4-one
|
385.50
|
4.8
|
1
|
5
|
60.69
|
9
|
|
|
(9Z,12Z)-N-[(3,4-dimethoxyphenyl)methyl]octadeca-9,12-dienamide
|
429.60
|
7.8
|
1
|
3
|
47.56
|
18
|
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