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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-(2,4-Dihydroxyphenyl)-1-[3-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]prop-2-en-1-one
|
676.70
|
7.2
|
7
|
10
|
184.98
|
7
|
|
|
3-Methyllumichrome
|
256.26
|
1.3
|
1
|
4
|
80.64
|
0
|
|
|
Cyclopropene
|
40.06
|
1.1
|
0
|
0
|
0
|
0
|
|
|
6-Methoxy-1-phenazinecarboxylic acid methyl ester
|
268.27
|
2.5
|
0
|
5
|
61.31
|
3
|
|
|
Methyl 2-methoxyphenazine-1-carboxylate
|
268.27
|
2.5
|
0
|
5
|
61.31
|
3
|
|
|
1,2,3-Trithiane
|
138.30
|
1.5
|
0
|
3
|
75.9
|
0
|
|
|
1-(3,4-Dihydroxyphenyl)-3-(4-hydroxy-2,6-dimethoxyphenyl)prop-2-en-1-one
|
316.30
|
2.6
|
3
|
6
|
96.22
|
5
|
|
|
Ethyl vinyl sulfide
|
88.17
|
1.7
|
0
|
1
|
25.3
|
2
|
|
|
Divinyl sulfide
|
86.16
|
1.9
|
0
|
1
|
25.3
|
2
|
|
|
4-Isobutylphenol
|
150.22
|
3.4
|
1
|
1
|
20.23
|
2
|
|
|
5-Hexenenitrile
|
95.14
|
1.4
|
0
|
1
|
23.79
|
3
|
|
|
3-O-methyl droserone
|
218.20
|
2.3
|
1
|
4
|
63.6
|
1
|
|
|
1,2,5-Trihydroxy-3-methylanthracene-9,10-dione
|
270.24
|
3.3
|
3
|
5
|
94.83
|
0
|
|
|
Dotetracontane
|
591.10
|
22.3
|
0
|
0
|
0
|
39
|
|
|
(2S)-flavan
|
210.27
|
3.8
|
0
|
1
|
9.23
|
1
|
|
|
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
4
|
|
|
Butyl 3-(2,4-dihydroxy-5-methoxyphenyl)propanoate
|
268.30
|
2.5
|
2
|
5
|
75.99
|
8
|
|
|
(3aR,8R,8bS)-8-(hydroxymethyl)-8-methyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
|
346.40
|
1.3
|
1
|
6
|
82.06
|
3
|
|
|
Ethyl undecanoate
|
214.34
|
5.1
|
0
|
2
|
26.3
|
11
|
|
|
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
[(2R)-2,3-di(octadeca-9,12-dienoyloxy)propyl] octadec-9-enoate
|
881.40
|
21
|
0
|
6
|
78.9
|
51
|
|
|
Dimethyl adipate
|
174.19
|
1
|
0
|
4
|
52.6
|
7
|
|
|
5-Methyl-1-hexanol
|
116.20
|
2.1
|
1
|
1
|
20.23
|
4
|
|
|
(12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
|
226.32
|
2.8
|
1
|
1
|
19.03
|
0
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate
|
1067.30
|
4.1
|
4
|
19
|
235.05
|
17
|
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