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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Lilac aldehyde
|
168.23
|
1.5
|
0
|
2
|
26.3
|
3
|
|
|
Aurasperone D
|
556.50
|
6
|
3
|
10
|
148.8
|
4
|
|
|
Aurantio-obtusin
|
330.29
|
2.7
|
3
|
7
|
113.29
|
2
|
|
|
(2R)-2-azaniumyl-3-methoxy-3-oxopropane-1-thiolate
|
135.19
|
-0.5
|
1
|
3
|
53.94
|
3
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carbaldehyde
|
440.70
|
7.3
|
1
|
2
|
37.3
|
1
|
|
|
2-Hydroxy-7-methoxycadalene
|
244.33
|
4.6
|
1
|
2
|
29.46
|
2
|
|
|
L-Turicine
|
159.18
|
0.1
|
1
|
3
|
60.36
|
0
|
|
|
Ethylcyclohexane
|
112.21
|
4
|
0
|
0
|
0
|
1
|
|
|
Ethyl sorbate
|
140.18
|
1.9
|
0
|
2
|
26.3
|
4
|
|
|
[(8E,10E,12E,14R)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl] acetate
|
300.40
|
3.9
|
1
|
3
|
46.53
|
10
|
|
|
Propylcyclohexane
|
126.24
|
4.6
|
0
|
0
|
0
|
2
|
|
|
2(6H)-Benzofuranone, 7,7a-dihydro-6-hydroxy-, (6S,7aR)-
|
152.15
|
-0.1
|
1
|
3
|
46.53
|
0
|
|
|
Glycosolone
|
273.33
|
2.8
|
1
|
3
|
51.46
|
3
|
|
|
Butylcyclohexane
|
140.27
|
5.1
|
0
|
0
|
0
|
3
|
|
|
Auraptene
|
298.40
|
5.3
|
0
|
3
|
39.44
|
6
|
|
|
1,2,3-Trimethylcyclohexane
|
126.24
|
4
|
0
|
0
|
0
|
0
|
|
|
(5R,9R,10R,13S,14S,17S)-17-[(E,2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]but-3-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
438.70
|
7
|
0
|
2
|
29.6
|
3
|
|
|
Dihydroamoorinin
|
472.60
|
3.5
|
1
|
7
|
98.5
|
5
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14-tetradecahydropicene-4a-carboxylic acid
|
488.70
|
5.6
|
4
|
5
|
97.99
|
2
|
|
|
CID 15508395
|
596.70
|
5.6
|
0
|
6
|
77.54
|
7
|
|
|
Pipercyclobutanamide A(rel)
|
570.70
|
4.9
|
0
|
6
|
77.54
|
6
|
|
|
Cinnamonitrile
|
129.16
|
2
|
0
|
1
|
23.79
|
1
|
|
|
(2S)-2-ethylhexanal
|
128.21
|
2.6
|
0
|
1
|
17.07
|
5
|
|
|
alpha-Hexylcinnamaldehyde
|
216.32
|
4.8
|
0
|
1
|
17.07
|
7
|
|
|
Cinnamyl cinnamate
|
264.30
|
4.4
|
0
|
2
|
26.3
|
6
|
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