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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)benzene-1,4-diol
|
314.50
|
6.9
|
2
|
2
|
40.46
|
8
|
|
|
(2S,9S,10S)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
|
315.32
|
0.7
|
1
|
6
|
68.23
|
0
|
|
|
11-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene-9,10-dione
|
321.30
|
3.3
|
0
|
5
|
65.07
|
1
|
|
|
1, 2-Dioleoyl-sn-glycero-3-phosphocholine
|
786.10
|
13.8
|
0
|
8
|
121
|
42
|
|
|
Crotafuran B
|
322.30
|
3.1
|
1
|
5
|
68.9
|
1
|
|
|
5-O-ethyl embelin
|
322.40
|
6.1
|
1
|
4
|
63.6
|
12
|
|
|
Stepharanine
|
324.30
|
3.1
|
2
|
4
|
62.8
|
2
|
|
|
Ethyl 2-hydroxyhexanoate
|
160.21
|
1.7
|
1
|
3
|
46.53
|
6
|
|
|
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-4,5-dihydroxy-2-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
325.31
|
-4.5
|
8
|
10
|
172.1
|
4
|
|
|
Guatterine
|
325.40
|
2.2
|
1
|
5
|
51.16
|
1
|
|
|
Machilin A
|
326.40
|
5.4
|
0
|
4
|
36.92
|
5
|
|
|
5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol
|
330.29
|
1.3
|
2
|
7
|
86.61
|
1
|
|
|
Bartsioside
|
330.33
|
-1.9
|
5
|
8
|
128.84
|
4
|
|
|
Mearnsetin
|
332.26
|
1.5
|
5
|
8
|
140.59
|
2
|
|
|
(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
|
345.40
|
0.1
|
1
|
5
|
66.84
|
3
|
|
|
Licoagrodione
|
356.40
|
4.8
|
3
|
6
|
104.06
|
6
|
|
|
3-[3-(Hydroxymethyl)-4,6-dimethoxy-1-benzofuran-2-yl]-2,6-dimethoxyphenol
|
360.40
|
2.6
|
2
|
7
|
90.52
|
6
|
|
|
(1S,2R,4S,5R,10S,11S,13R,14R,15R,18R)-14-hydroxy-5-[(1R)-1-hydroxyethyl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
|
364.30
|
-1.3
|
2
|
8
|
118.12
|
1
|
|
|
[(2R,3R,4R,5S,6S)-3-acetyloxy-2,5-dihydroxy-6-methyloxan-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
366.40
|
1.1
|
2
|
8
|
111.52
|
7
|
|
|
[(2R,3R,4R,5S,6S)-3-acetyloxy-2,5-dihydroxy-6-methyloxan-4-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
366.40
|
1.1
|
2
|
8
|
111.52
|
7
|
|
|
vitrofolal C
|
366.40
|
2.7
|
2
|
6
|
85.22
|
4
|
|
|
Glicoricone
|
368.40
|
4
|
3
|
6
|
100.13
|
4
|
|
|
(-)-Voacangine
|
368.50
|
3.5
|
1
|
4
|
54.56
|
4
|
|
|
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
|
154.25
|
2.7
|
0
|
1
|
17.07
|
1
|
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