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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cembra-2,7,11-triene-4,6-diol
|
306.50
|
4
|
2
|
2
|
40.46
|
1
|
|
|
Brucina
|
394.50
|
1
|
0
|
5
|
51.24
|
2
|
|
|
5,6-dimethoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one
|
311.30
|
3.1
|
1
|
5
|
60.55
|
4
|
|
|
(1S,2R,6R,9R,10S,11R,12R,15R)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.02,10.05,9]pentadec-4-ene-3,8,14-trione
|
318.40
|
0.5
|
1
|
5
|
80.67
|
0
|
|
|
6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolinium
|
206.26
|
1.2
|
0
|
2
|
21.47
|
2
|
|
|
10-acetoxy-8-hydroxy-9-O-angeloylthmol
|
322.40
|
2.4
|
2
|
6
|
93.06
|
8
|
|
|
Flemichapparin A
|
322.40
|
4.5
|
2
|
4
|
66.76
|
3
|
|
|
(2R,4aS,5R,5'S,6S,8aS)-5'-(2-hydroxyethyl)-1,1,4a,5',6-pentamethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
|
324.50
|
3.8
|
2
|
3
|
49.69
|
2
|
|
|
Pipertipine
|
329.40
|
4.4
|
0
|
3
|
38.77
|
7
|
|
|
Cannabichromevarinic acid
|
330.40
|
5.9
|
2
|
4
|
66.76
|
6
|
|
|
(1R,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaen-1-ol
|
339.30
|
2.3
|
1
|
6
|
60.39
|
0
|
|
|
Denudadione C
|
340.40
|
3.5
|
0
|
5
|
61.83
|
4
|
|
|
(1S,5R,9R,10S,11R,13S,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
|
343.50
|
2.4
|
2
|
3
|
43.7
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
346.33
|
-3
|
6
|
9
|
149.07
|
4
|
|
|
Eupaglehnin C
|
346.40
|
2.4
|
1
|
5
|
72.83
|
4
|
|
|
[(1S,2S,3R,6R)-3-benzoyloxy-2-hydroxy-7-oxabicyclo[4.1.0]hept-4-en-1-yl]methyl benzoate
|
366.40
|
2.5
|
1
|
6
|
85.36
|
7
|
|
|
Licoleafol
|
372.40
|
2.7
|
5
|
7
|
127.45
|
4
|
|
|
10-butanoyl-5-hydroxy-6-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[3,2-g]chromen-8-one
|
372.40
|
2.6
|
2
|
6
|
96.97
|
5
|
|
|
Ovaliflavanone A
|
376.50
|
6.4
|
1
|
3
|
46.53
|
5
|
|
|
Cedronolactone E
|
380.40
|
-0.8
|
3
|
8
|
122.52
|
1
|
|
|
3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone
|
393.20
|
4.5
|
1
|
5
|
64.99
|
6
|
|
|
(8S)-5-hydroxy-6-(3-methylbutanoyl)-4-phenyl-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
|
404.50
|
5.5
|
1
|
5
|
76.74
|
5
|
|
|
(E)-N-[2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]ethyl]-3-methylsulfonylprop-2-enamide
|
405.60
|
4.3
|
1
|
4
|
80.85
|
11
|
|
|
Sophoraflavanone C
|
424.50
|
5.8
|
4
|
6
|
107.22
|
6
|
|
|
5,8-Epidioxyergosta-6,9(11),22-trien-3-ol
|
426.60
|
6.1
|
1
|
3
|
38.69
|
4
|
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