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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one
|
194.31
|
3.7
|
0
|
1
|
17.07
|
3
|
|
|
Ethyl 1-(ethylthio)propyl disulfide
|
196.40
|
3.3
|
0
|
3
|
75.9
|
6
|
|
|
(4S,6S,7S,11S)-7-hydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
|
196.20
|
0.1
|
1
|
4
|
55.76
|
0
|
|
|
[(3S)-3-ethenyl-2,5-dimethylhex-4-en-2-yl] acetate
|
196.29
|
3.3
|
0
|
2
|
26.3
|
5
|
|
|
(3Z)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
|
199.25
|
2.9
|
1
|
1
|
29.1
|
1
|
|
|
(E)-5-methylsulfanyl-1-phenylpent-4-en-2-yn-1-one
|
202.27
|
3.2
|
0
|
2
|
42.37
|
2
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
680.60
|
-0.8
|
9
|
17
|
271.59
|
14
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
664.60
|
-0.4
|
8
|
16
|
251.36
|
14
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2-[[(2R,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
826.70
|
-2.2
|
11
|
21
|
330.51
|
18
|
|
|
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2-[[(2R,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
856.80
|
-2.3
|
11
|
22
|
339.74
|
19
|
|
|
(2R,3R,4S,5S,6R)-2-[[(4S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,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-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1225.40
|
-2
|
17
|
27
|
436.21
|
14
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,2R,5R,7S,10R,11R,15S,19S,20S,21S,23R)-7-[(2S,3R,4S,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-20-(hydroxymethyl)-1,2,6,6,10,17,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-19-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
1223.30
|
-2.6
|
16
|
27
|
428.51
|
14
|
|
|
6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-4-one
|
206.22
|
0.8
|
1
|
3
|
39.97
|
0
|
|
|
4-[(Z)-4-hydroxy-3-methylbut-2-enoxy]benzaldehyde
|
206.24
|
1.6
|
1
|
3
|
46.53
|
5
|
|
|
3-[(1S,4R,5R,7S,8S,9R,12S,13R)-7-acetyloxy-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
|
526.70
|
7.5
|
1
|
6
|
89.9
|
8
|
|
|
[(9R,13S,16S,17R,18S)-16-[(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate
|
536.70
|
4.5
|
1
|
7
|
99.13
|
4
|
|
|
methyl (1S,2S,3'R,4S,4'E,5S,6S,7S)-3'-hydroxy-4'-[(4-hydroxyphenyl)methylidene]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-oxolane]-10-carboxylate
|
564.50
|
-1.7
|
6
|
14
|
214.2
|
6
|
|
|
[(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] propanoate
|
208.30
|
4
|
0
|
2
|
26.3
|
7
|
|
|
Methyl 1-(1-propenylsulfinyl)propyl disulfide
|
210.40
|
1.9
|
0
|
4
|
86.88
|
5
|
|
|
(7Z)-8-methylsulfanyltrideca-1,7-dien-3,5,9,11-tetrayne
|
210.30
|
4
|
0
|
1
|
25.3
|
4
|
|
|
Butyl 1-(methylthio)propyl disulfide
|
210.40
|
3.9
|
0
|
3
|
75.9
|
7
|
|
|
(5E,7E)-pentadeca-5,7-dien-9,11,13-triyn-2-one
|
210.27
|
3
|
0
|
1
|
17.07
|
6
|
|
|
Artemisyl propionate
|
210.31
|
4.1
|
0
|
2
|
26.3
|
6
|
|
|
(6S,7R)-6-hydroxy-7-methyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylic acid
|
197.23
|
-3.4
|
3
|
4
|
69.56
|
1
|
|
|
Methyl 1-(propylsulfinyl)propyl disulfide
|
212.40
|
1.9
|
0
|
4
|
86.88
|
6
|
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