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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Methylthiophene
|
98.17
|
2.3
|
0
|
1
|
28.24
|
0
|
|
|
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',4',16-trihydroxy-9,13-dimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
|
1103.20
|
-3.5
|
11
|
25
|
367.43
|
14
|
|
|
[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,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]icosa-6,18-dien-16-yl]oxy]oxan-2-yl]methyl acetate
|
1235.40
|
-2.1
|
14
|
27
|
411.05
|
19
|
|
|
(3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one
|
132.11
|
-1.2
|
2
|
4
|
66.76
|
0
|
|
|
Lindelofidine
|
141.21
|
0.5
|
1
|
2
|
23.47
|
1
|
|
|
(1S,2R,3R,5R)-8-azabicyclo[3.2.1]octane-2,3-diol
|
143.18
|
-0.7
|
3
|
3
|
52.49
|
0
|
|
|
(2E,4E)-3,7-dimethyl-2,4,6-octatrienal
|
150.22
|
3.1
|
0
|
1
|
17.07
|
3
|
|
|
(1S,2S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
|
154.25
|
3
|
1
|
1
|
20.23
|
1
|
|
|
2(5H)-Furanone, 3-methyl-5-(2S)-2-pyrrolidinyl-, (5R)-
|
167.20
|
0.8
|
1
|
3
|
38.33
|
1
|
|
|
(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-ol
|
170.25
|
1.6
|
1
|
2
|
32.76
|
4
|
|
|
(3R)-3-acetamido-4-(trimethylazaniumyl)butanoate
|
202.25
|
-0.2
|
1
|
3
|
69.23
|
4
|
|
|
[(2R)-2-acetamido-3-carboxypropyl]-trimethylazanium
|
203.26
|
-0.8
|
2
|
3
|
66.4
|
5
|
|
|
(1r,4r)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
|
152.23
|
2.4
|
1
|
1
|
20.23
|
1
|
|
|
alpha-Zingiberene
|
204.35
|
5.2
|
0
|
0
|
0
|
4
|
|
|
Vinyl caffeate
|
206.19
|
2
|
2
|
4
|
66.76
|
4
|
|
|
8-Hydroxy-6-methoxy-3-methylisochromen-1-one
|
206.19
|
2.5
|
1
|
4
|
59.67
|
1
|
|
|
(3R)-hydroxy-beta-ionone
|
208.30
|
1.6
|
1
|
2
|
37.3
|
2
|
|
|
2-Methyloctadecanoic acid
|
298.50
|
8.8
|
1
|
2
|
37.3
|
16
|
|
|
Linamarin
|
247.24
|
-1.8
|
4
|
7
|
123.17
|
3
|
|
|
4-Epi-curcumenol
|
234.33
|
2.2
|
1
|
2
|
29.46
|
0
|
|
|
[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
|
238.37
|
2.7
|
2
|
2
|
40.46
|
2
|
|
|
(E)-1-methylsulfanyl-3-[[(E)-3-methylsulfanylprop-2-enyl]disulfanyl]prop-1-ene
|
238.50
|
2.5
|
0
|
4
|
101.2
|
7
|
|
|
Neoambrosin
|
246.30
|
2.1
|
0
|
3
|
43.37
|
0
|
|
|
Isoevodionol
|
248.27
|
2.7
|
1
|
4
|
55.76
|
2
|
|
|
hyperlactone A
|
250.29
|
2.7
|
0
|
4
|
52.6
|
3
|
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