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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Oxofangchirine
|
618.70
|
6.8
|
0
|
9
|
88.58
|
4
|
|
|
2-[(E)-4-thiophen-2-ylbut-1-en-3-ynyl]furan
|
200.26
|
3.4
|
0
|
2
|
41.38
|
2
|
|
|
gamma-Decalactone
|
170.25
|
2.7
|
0
|
2
|
26.3
|
5
|
|
|
Methyl helicterilate
|
632.90
|
9.2
|
0
|
6
|
78.9
|
8
|
|
|
Helicterilic acid
|
618.80
|
8.9
|
1
|
6
|
89.9
|
7
|
|
|
Deoxyartemisinin
|
266.33
|
2.7
|
0
|
4
|
44.76
|
0
|
|
|
Gomisin M1, (+/-)-
|
386.40
|
4.8
|
1
|
6
|
66.38
|
3
|
|
|
Methyl 3-hydroxy-2-methylbutanoate
|
132.16
|
0.4
|
1
|
3
|
46.53
|
3
|
|
|
1a,4a,7,7-Tetramethyl-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulene-2,5-diol
|
238.37
|
2.7
|
2
|
2
|
40.46
|
0
|
|
|
[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboperoxoate
|
290.27
|
-1.9
|
4
|
8
|
129.84
|
5
|
|
|
1-(2,3-Dihydroxy-4-methoxyphenyl)ethanone
|
182.17
|
1.5
|
2
|
4
|
66.76
|
2
|
|
|
methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-dimethyl-7-prop-1-en-2-yl-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoate
|
330.50
|
6.4
|
0
|
2
|
26.3
|
5
|
|
|
CID 12821233
|
848.80
|
0.8
|
12
|
19
|
330.89
|
9
|
|
|
Didrovaltrate acetoxy hydrin
|
484.50
|
1.8
|
1
|
10
|
134.66
|
14
|
|
|
Uralsaponin A
|
822.90
|
3.7
|
8
|
16
|
267.04
|
7
|
|
|
2,2,5-Trimethyl-2h,8h-benzo[1,2-b:5,4-b']dipyran-8-one
|
242.27
|
3.2
|
0
|
3
|
39.44
|
0
|
|
|
6-[(3-Butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
|
474.50
|
4.6
|
4
|
8
|
141.36
|
9
|
|
|
Criasbetaine
|
281.30
|
3.8
|
0
|
3
|
45.4
|
2
|
|
|
Methyl cis-10-Octadecenoate
|
296.50
|
7.6
|
0
|
2
|
26.3
|
16
|
|
|
2-(Hydroxymethyl)-6-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
|
785.00
|
4
|
9
|
13
|
218.99
|
10
|
|
|
CID 128327
|
674.80
|
2.6
|
4
|
11
|
156.67
|
4
|
|
|
Julifloricine
|
630.00
|
10.4
|
4
|
5
|
67.76
|
22
|
|
|
Coniferyl acetate
|
222.24
|
2
|
1
|
4
|
55.76
|
5
|
|
|
1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl acetate
|
458.50
|
4.6
|
0
|
8
|
81.68
|
6
|
|
|
p-Menth-3-enol
|
154.25
|
2.8
|
1
|
1
|
20.23
|
1
|
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