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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ethyl 2-bromoisobutyrate
|
195.05
|
1.9
|
0
|
2
|
26.3
|
3
|
|
|
6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-
|
184.27
|
3.3
|
0
|
2
|
26.3
|
6
|
|
|
(1R,4R,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
|
220.35
|
4.3
|
0
|
1
|
17.07
|
1
|
|
|
(1S,3aS,7R,8aS)-1-methyl-4-methylidene-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulen-3a-ol
|
220.35
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
4-Quinolin-3-ylphenol
|
221.25
|
3.4
|
1
|
2
|
33.12
|
1
|
|
|
Tricyclo(6.3.1.02,5)dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)-
|
222.37
|
4.2
|
1
|
1
|
20.23
|
0
|
|
|
Isopetasol
|
234.33
|
2.8
|
1
|
2
|
37.3
|
0
|
|
|
5-Hydroxysedamine
|
235.32
|
1.4
|
2
|
3
|
43.7
|
3
|
|
|
(1R,2R,4aR,5R,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
1
|
|
|
2,3-Pentanedione
|
100.12
|
0.1
|
0
|
2
|
34.14
|
2
|
|
|
Damcinic acid
|
250.33
|
2.9
|
1
|
3
|
54.37
|
2
|
|
|
[(1(10)E,2R,4R)]-2-Methoxy-8,12-epoxygemacra-1(10),7,11-trien-6-one
|
262.34
|
2.7
|
0
|
3
|
39.44
|
1
|
|
|
(+)-dendocarbin L
|
266.33
|
2
|
2
|
4
|
66.76
|
0
|
|
|
Ethyl 4-methylpentanoate
|
144.21
|
2.1
|
0
|
2
|
26.3
|
5
|
|
|
Methyl pyruvate
|
102.09
|
0
|
0
|
3
|
43.37
|
2
|
|
|
6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone
|
286.32
|
1.4
|
2
|
4
|
70.67
|
3
|
|
|
(4R,6R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one
|
292.28
|
-1.6
|
4
|
8
|
125.68
|
3
|
|
|
Galanthamine N-Oxide
|
303.35
|
1.3
|
1
|
4
|
61.75
|
1
|
|
|
Vincaminine
|
368.40
|
1.4
|
1
|
5
|
71.77
|
3
|
|
|
(6aR,11aR)-2,4-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
392.50
|
6.1
|
2
|
4
|
58.92
|
4
|
|
|
(4R,5R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5-dimethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
|
402.40
|
-2.3
|
6
|
9
|
156.91
|
6
|
|
|
Uric Acid
|
168.11
|
-1.9
|
4
|
3
|
114.37
|
0
|
|
|
Mammea A/BB
|
406.50
|
5.9
|
2
|
5
|
87.74
|
6
|
|
|
(1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
|
418.40
|
-1.7
|
5
|
11
|
172.21
|
6
|
|
|
1-methoxy-6-(1-methoxy-3-methylcarbazol-9-yl)-3-methyl-9H-carbazole
|
420.50
|
7.1
|
1
|
2
|
39.18
|
3
|
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