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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Daturaolone
|
440.70
|
7.5
|
1
|
2
|
37.3
|
0
|
|
|
3,4,5-Trimethylbenzaldehyde
|
148.20
|
2.5
|
0
|
1
|
17.07
|
1
|
|
|
5,6,7,8-Tetramethoxyflavone
|
342.30
|
3.1
|
0
|
6
|
67.13
|
5
|
|
|
7-Oxodihydrokarounidiol
|
456.70
|
6.3
|
2
|
3
|
57.53
|
1
|
|
|
4-Hydroxypyridine
|
95.10
|
-1.3
|
1
|
2
|
32.86
|
0
|
|
|
Propyl hexanoate
|
158.24
|
2.9
|
0
|
2
|
26.3
|
7
|
|
|
Butyl hexanoate
|
172.26
|
3.3
|
0
|
2
|
26.3
|
8
|
|
|
L-Cytidine
|
243.22
|
-2.1
|
4
|
5
|
130.83
|
2
|
|
|
Adipic acid monoethyl ester
|
174.19
|
0.6
|
1
|
4
|
63.6
|
7
|
|
|
4-Methyl-1-pentanol
|
102.17
|
1.6
|
1
|
1
|
20.23
|
3
|
|
|
Hexenyl acetate
|
142.20
|
2.4
|
0
|
2
|
26.3
|
5
|
|
|
2-Hexanol
|
102.17
|
1.8
|
1
|
1
|
20.23
|
3
|
|
|
3-Cyclohexene-1-methanol, (R)-
|
112.17
|
1.3
|
1
|
1
|
20.23
|
1
|
|
|
(S)-3-cyclohexene-1-methanol
|
112.17
|
1.3
|
1
|
1
|
20.23
|
1
|
|
|
Vaginidin
|
346.40
|
2.6
|
1
|
6
|
85.97
|
5
|
|
|
Atidine
|
359.50
|
1.6
|
2
|
4
|
60.77
|
2
|
|
|
CID 12299863
|
299.40
|
2.8
|
1
|
2
|
32.59
|
0
|
|
|
(E)-10,11-Dihydro-alpha-atlantone
|
218.33
|
4.1
|
0
|
1
|
17.07
|
3
|
|
|
(5Z)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,5-dien-4-one
|
218.33
|
4.1
|
0
|
1
|
17.07
|
3
|
|
|
alpha-Atlantone
|
218.33
|
4.1
|
0
|
1
|
17.07
|
3
|
|
|
7,15-Dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
320.40
|
2.2
|
3
|
4
|
77.76
|
1
|
|
|
(1R,4Z,6R,7S,17R)-4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
335.40
|
1.1
|
1
|
6
|
76.07
|
0
|
|
|
[(3aR,4R,6S,6aR,9aR,9bR)-9-methyl-3-methylidene-2-oxospiro[4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
376.40
|
0
|
2
|
7
|
105.59
|
5
|
|
|
Bakkenolide D
|
408.50
|
2.9
|
0
|
7
|
104.2
|
6
|
|
|
(1S,9S,10R,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
260.33
|
0.6
|
1
|
3
|
45.47
|
0
|
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