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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Methyl-1-penten-3-ol
|
100.16
|
1.3
|
1
|
1
|
20.23
|
2
|
|
|
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
|
428.40
|
-1.4
|
6
|
10
|
158.3
|
8
|
|
|
(1R,3S,4S,5S)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
Baimuxinal
|
236.35
|
2.9
|
1
|
2
|
37.3
|
2
|
|
|
(2S)-2-acetyl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
|
242.23
|
1.5
|
0
|
4
|
60.44
|
1
|
|
|
Tilarginine Acetate
|
248.28
|
|
5
|
6
|
151.03
|
6
|
|
|
Pterosin O
|
232.32
|
3.1
|
0
|
2
|
26.3
|
3
|
|
|
cis-Heptadec-3-ene
|
238.50
|
8.5
|
0
|
0
|
0
|
13
|
|
|
(3R,8S,10R,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.3
|
1
|
1
|
20.23
|
6
|
|
|
(S)-2-Ethylhexanoic acid
|
144.21
|
2.6
|
1
|
2
|
37.3
|
5
|
|
|
2,3,4-Trimethylhexane
|
128.25
|
4.2
|
0
|
0
|
0
|
3
|
|
|
3,4-Dimethylheptane
|
128.25
|
4.5
|
0
|
0
|
0
|
4
|
|
|
CID 13534461
|
348.40
|
0.3
|
4
|
6
|
115.06
|
2
|
|
|
(1R,2R,4aS,6aR,6aS,6bR,8aR,12aS,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicene-4a-carboxylic acid
|
484.70
|
4.6
|
2
|
5
|
91.67
|
1
|
|
|
5,7-Dihydroxy-6,8-dimethyl-2-tricosylchromen-4-one
|
528.80
|
14.1
|
2
|
4
|
70.67
|
22
|
|
|
2-Heptadecyl-5,7-dihydroxy-6,8-dimethylchromen-4-one
|
444.60
|
10.9
|
2
|
4
|
70.67
|
16
|
|
|
Hexadecanoate;hydron
|
256.42
|
|
1
|
2
|
40.13
|
13
|
|
|
Hydron;octanoate
|
144.21
|
|
1
|
2
|
40.13
|
5
|
|
|
Heptanoate;hydron
|
130.18
|
|
1
|
2
|
40.13
|
4
|
|
|
2-Amino-4-methylsulfanylbutanoate;hydron
|
149.21
|
|
2
|
4
|
91.45
|
3
|
|
|
Decanoate;hydron
|
172.26
|
|
1
|
2
|
40.13
|
7
|
|
|
3-Cyanoalanine
|
114.10
|
-3.7
|
2
|
4
|
87.11
|
2
|
|
|
1,1-Dibromo-3,3-dichloroprop-1-ene
|
268.76
|
3.4
|
0
|
0
|
0
|
1
|
|
|
(4S,5S)-3,3,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohexan-1-one
|
208.30
|
1.9
|
0
|
2
|
34.14
|
2
|
|
|
(2S,8S)-5-Isopropylnonane-2,8-diol
|
202.33
|
2.7
|
2
|
2
|
40.46
|
7
|
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