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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Melochinine
|
323.50
|
5
|
2
|
4
|
62.32
|
12
|
|
|
(E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide
|
343.40
|
2.1
|
3
|
5
|
88.02
|
7
|
|
|
5-Methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
|
216.24
|
1.7
|
2
|
2
|
54.12
|
1
|
|
|
3-Hydroxy-2-methoxybenzoic acid
|
168.15
|
1
|
2
|
4
|
66.76
|
2
|
|
|
3-[3,4-Dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
|
296.30
|
3.7
|
2
|
4
|
66.76
|
6
|
|
|
4-[Hydroxy(methoxy)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
|
199.20
|
-0.3
|
3
|
5
|
82.81
|
3
|
|
|
(S)-2,3-Dihydro-2-(hydroxymethyl)-6-(2-methoxyethyl)-2,5,7-trimethyl-1H-inden-1-one
|
262.34
|
2.8
|
1
|
3
|
46.53
|
4
|
|
|
cis-p-Menth-2-enol
|
154.25
|
3.1
|
1
|
1
|
20.23
|
1
|
|
|
L-2,4-diaminobutyric acid
|
118.13
|
-4.6
|
3
|
4
|
89.34
|
3
|
|
|
Dotriacontan-14-ol
|
466.90
|
15.7
|
1
|
1
|
20.23
|
29
|
|
|
Terbutryn
|
241.36
|
3.7
|
2
|
6
|
88.03
|
5
|
|
|
alpha-Ergocryptine
|
575.70
|
2.7
|
3
|
6
|
118.21
|
5
|
|
|
Lysergic acid alpha-hydroxyethylamide
|
311.40
|
1.9
|
3
|
3
|
68.36
|
2
|
|
|
[(1S,6S,7S,7aS)-6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
|
458.90
|
2
|
1
|
8
|
108.36
|
12
|
|
|
1,3-Bis(4-hydroxyphenyl)prop-2-en-1-one
|
240.25
|
2.4
|
2
|
3
|
57.53
|
3
|
|
|
7-Angeloylretronecine
|
237.29
|
0.5
|
1
|
4
|
49.77
|
4
|
|
|
Deoxoglycyrrhizin
|
808.90
|
4.8
|
8
|
15
|
249.97
|
7
|
|
|
Licoricesaponin B2
|
808.90
|
4.8
|
8
|
15
|
249.97
|
7
|
|
|
1,4-Dihydro-2H,5H-pyrano(3,4-c)(1)benzopyran-5-one
|
202.21
|
1.2
|
0
|
3
|
39.44
|
0
|
|
|
Dihydrolupeol
|
428.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
(1S,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
428.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
|
320.40
|
4
|
3
|
5
|
86.99
|
0
|
|
|
Trigonelline hydrochloride
|
173.60
|
|
1
|
3
|
41.18
|
1
|
|
|
(3S,8S,9R,10S,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
|
428.70
|
8.3
|
1
|
2
|
37.3
|
6
|
|
|
(10S,11R,12R,13S,15S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
|
694.50
|
2.4
|
10
|
17
|
290.43
|
4
|
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