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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,4,8-Trihydroxy-6-methoxy-2-methy lanthraquinone
|
300.26
|
3.2
|
3
|
6
|
104.06
|
1
|
|
|
[5-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxol-4-yl]methanol
|
355.40
|
2.5
|
1
|
6
|
60.39
|
3
|
|
|
2-Ethyl-2-hydroxy-3-oxobutanoate
|
145.13
|
0.5
|
1
|
4
|
77.43
|
2
|
|
|
1,4-Benzoxazine
|
133.15
|
1.7
|
1
|
2
|
21.26
|
0
|
|
|
Methyl 2,3-dihydroxypropanoate
|
120.10
|
-1.2
|
2
|
4
|
66.76
|
3
|
|
|
5-(Hydroxymethyl)-2-(propan-2-yl)phenol
|
166.22
|
2
|
2
|
2
|
40.46
|
2
|
|
|
16-[3-(4-Hydroxyphenyl)prop-2-enoyloxy]hexadecyl 16-[3-(4-hydroxyphenyl)prop-2-enoyloxy]hexadecanoate
|
805.10
|
16.6
|
2
|
8
|
119.36
|
40
|
|
|
5-Methylsulfanyl-1-phenylpent-4-en-2-yn-1-one
|
202.27
|
3.2
|
0
|
2
|
42.37
|
2
|
|
|
Hex-1-en-3-yl butanoate
|
170.25
|
2.9
|
0
|
2
|
26.3
|
7
|
|
|
4-(1-Hydroxyallyl)-2-methoxyphenol
|
180.20
|
0.9
|
2
|
3
|
49.69
|
3
|
|
|
Prodelphinidin B6
|
414.40
|
1.8
|
8
|
9
|
171.07
|
2
|
|
|
2-Methoxy-6-propylphenol
|
166.22
|
2.9
|
1
|
2
|
29.46
|
3
|
|
|
1-(1-carboxypropan-2-yl)-5-[(3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl)methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid
|
446.50
|
2.2
|
3
|
7
|
121.13
|
6
|
|
|
(1S,7R,7aS)-1-[(2R)-1-carboxypropan-2-yl]-5-[[(1S,4S)-3,3-dimethyl-2-oxo-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid
|
446.50
|
2.2
|
3
|
7
|
121.13
|
6
|
|
|
3,4-Dimethyl-1-hexene
|
112.21
|
3.5
|
0
|
0
|
0
|
3
|
|
|
3,3-Diethoxy-1-propanol
|
148.20
|
0.5
|
1
|
3
|
38.69
|
6
|
|
|
(-)-beta-Curcumene
|
204.35
|
4.7
|
0
|
0
|
0
|
4
|
|
|
2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
|
344.40
|
3.8
|
2
|
5
|
68.15
|
8
|
|
|
Fragransol A
|
374.40
|
2.8
|
2
|
6
|
77.38
|
6
|
|
|
Fragransol B
|
330.40
|
2.9
|
2
|
5
|
68.15
|
5
|
|
|
Fragransin D1
|
388.50
|
4
|
1
|
6
|
66.38
|
6
|
|
|
Fragransin D2
|
388.50
|
4
|
1
|
6
|
66.38
|
6
|
|
|
(2R,3R,4S)-8-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(4-hydroxyphenyl)-4-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
786.80
|
5.7
|
10
|
13
|
229.99
|
5
|
|
|
(2R,3R)-2-(4-hydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
|
|
(2S,3S)-2-(4-hydroxyphenyl)-8-[(2S,3S,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
546.50
|
3.1
|
8
|
10
|
180.3
|
3
|
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