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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cnidilide
|
194.27
|
3.2
|
0
|
2
|
26.3
|
3
|
|
|
Hemiphloin
|
434.40
|
-0.1
|
7
|
10
|
177.14
|
3
|
|
|
Nordamnacanthal
|
268.22
|
2.7
|
2
|
5
|
91.67
|
1
|
|
|
4-[(3S,3aR,6S,6aR)-6-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
|
494.50
|
2.3
|
5
|
9
|
138.07
|
4
|
|
|
Questin
|
284.26
|
3
|
2
|
5
|
83.83
|
1
|
|
|
Methyl isoplatydesmine, 4
|
273.33
|
2.5
|
0
|
4
|
40.46
|
2
|
|
|
Guttic acid
|
628.70
|
7.3
|
2
|
8
|
119.36
|
8
|
|
|
5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
|
440.70
|
|
2
|
2
|
40.46
|
8
|
|
|
(3S,4R,4aS,6aS,6bR,8aR,14aS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
|
428.70
|
10.1
|
1
|
1
|
20.23
|
0
|
|
|
2,3-Dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)benzene-1,4-diol
|
751.20
|
18.1
|
2
|
2
|
40.46
|
26
|
|
|
(1S,4S,5R,13R,17S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-2,2,10-triol
|
474.70
|
5.9
|
3
|
4
|
69.92
|
0
|
|
|
2-(3-Amino-2,4-dibromo-6-hydroxy-phenyl)acetic acid
|
324.95
|
1.7
|
3
|
4
|
83.55
|
2
|
|
|
Neodiospyrin
|
374.30
|
3.7
|
2
|
6
|
108.74
|
1
|
|
|
5-Hydroxy-7-methyl-tetralin-1,4-dione
|
190.19
|
1.7
|
1
|
3
|
54.37
|
0
|
|
|
Isocytisoside
|
446.40
|
0.5
|
6
|
10
|
170.05
|
4
|
|
|
6-Formyl-7-methoxycoumarin
|
204.18
|
1.3
|
0
|
4
|
56.51
|
2
|
|
|
Isoflavanone
|
224.25
|
3.1
|
0
|
2
|
26.3
|
1
|
|
|
5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
|
340.28
|
-0.1
|
5
|
9
|
149.82
|
2
|
|
|
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
|
450.40
|
0.4
|
7
|
11
|
186.37
|
3
|
|
|
2-Acetonyl-5-hydroxy-3-(3-hydroxy-3-methyl-butyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
|
386.40
|
2.9
|
2
|
6
|
96.97
|
5
|
|
|
Dronabinol
|
314.50
|
7
|
1
|
2
|
29.46
|
4
|
|
|
Ethyl 2-hydroxyquinoline-4-carboxylate
|
217.22
|
1.3
|
1
|
3
|
59.16
|
3
|
|
|
Desoxymorellin
|
530.60
|
6.7
|
1
|
6
|
82.06
|
4
|
|
|
Isomorellin
|
544.60
|
5.3
|
1
|
7
|
99.13
|
5
|
|
|
Isomorellinol
|
546.60
|
5.4
|
2
|
7
|
102.29
|
5
|
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