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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Rhodalin
|
434.30
|
0.4
|
7
|
11
|
190.28
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-3,5,8-trihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
|
464.40
|
0.5
|
8
|
12
|
210.51
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
|
626.50
|
-1.3
|
11
|
17
|
289.66
|
6
|
|
|
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
|
610.50
|
-0.9
|
10
|
16
|
269.43
|
6
|
|
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
|
596.50
|
-1.4
|
10
|
16
|
269.43
|
6
|
|
|
Rhodalidin
|
596.50
|
-1.4
|
10
|
16
|
269.43
|
6
|
|
|
2-Methoxy-4-[1,2,3-tris(ethylsulfanyl)propyl]phenol
|
346.60
|
4.5
|
1
|
5
|
105.36
|
10
|
|
|
2,6-Dimethoxy-4-[1,2,3-tris(ethylsulfanyl)propyl]phenol
|
376.60
|
4.5
|
1
|
6
|
114.59
|
11
|
|
|
(6aR,11aR)-pterocarpan
|
224.25
|
3
|
0
|
2
|
18.46
|
0
|
|
|
(13S)-5-hydroxy-19,20,24-trimethoxy-14-methyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.3.28,11.12,6.113,17.026,31.021,33]hexatriaconta-1(29),2(36),3,5,8,10,17,19,21(33),23,25,31,34-tridecaen-30-one
|
606.70
|
5.4
|
1
|
9
|
99.05
|
3
|
|
|
4,5,6-Trimethoxyindeno[1,2,3-ij]isoquinolin-9-ol
|
309.30
|
3
|
1
|
5
|
60.81
|
3
|
|
|
Magnoshinin
|
414.50
|
4.5
|
0
|
6
|
55.38
|
7
|
|
|
(13-Ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl) acetate
|
368.50
|
2.4
|
1
|
5
|
53.01
|
3
|
|
|
CID 13579075
|
350.40
|
1.6
|
0
|
5
|
58.97
|
3
|
|
|
[(1R,10S,12R,13R,14S,16S,17S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
|
350.40
|
1.6
|
0
|
5
|
58.97
|
3
|
|
|
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
|
427.20
|
-4.5
|
6
|
12
|
251.96
|
6
|
|
|
(2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
|
450.60
|
3.9
|
2
|
6
|
74.52
|
5
|
|
|
(2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
|
450.60
|
3.9
|
2
|
6
|
74.52
|
5
|
|
|
(2S)-4-[(E)-2-(carboxymethylamino)vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
268.22
|
-0.4
|
4
|
8
|
136.29
|
5
|
|
|
6,7-Dimethoxy-3,4-dihydroisoquinolin-8-ol
|
207.23
|
0.9
|
1
|
4
|
51.05
|
2
|
|
|
1,6-Dimethyl-4-isopropyl-5,8-naphthoquinone
|
228.29
|
3.3
|
0
|
2
|
34.14
|
1
|
|
|
Dodecylamine
|
185.35
|
5.3
|
1
|
1
|
26.02
|
10
|
|
|
Methyl behenate
|
354.60
|
11.2
|
0
|
2
|
26.3
|
21
|
|
|
Isofiliformine
|
351.30
|
3
|
1
|
7
|
87.11
|
2
|
|
|
Octadecyl vinyl ether
|
296.50
|
9.7
|
0
|
1
|
9.23
|
18
|
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