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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,6,8-Trihydroxy-1,1-bis(3-methylbut-2-enyl)xanthene-2,9-dione
|
396.40
|
5
|
3
|
6
|
107.97
|
4
|
|
|
1,3-Di-tert-butylbenzene
|
190.32
|
5.8
|
0
|
0
|
0
|
2
|
|
|
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
|
348.21
|
-3
|
5
|
10
|
189.83
|
4
|
|
|
2,7,8-Trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-1,4-dione
|
338.30
|
2.6
|
4
|
7
|
128.2
|
1
|
|
|
(1R,2S,4S,7R,8S)-6-[(E)-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
|
460.50
|
2.9
|
1
|
6
|
80.59
|
4
|
|
|
Nigellidine
|
294.30
|
2.9
|
1
|
4
|
47.16
|
1
|
|
|
3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
|
486.40
|
-0.8
|
6
|
11
|
183.19
|
4
|
|
|
7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
|
502.40
|
-1.2
|
7
|
12
|
203.42
|
4
|
|
|
2,13-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-1-ol
|
349.30
|
4.4
|
1
|
6
|
70.04
|
2
|
|
|
[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
716.60
|
3.5
|
11
|
16
|
284.36
|
5
|
|
|
2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]-1H-indol-2-yl]indol-3-one
|
490.50
|
5.1
|
2
|
5
|
86.68
|
2
|
|
|
2-Hydroxy-7-(1-hydroxyethylidene)-10,15,15-trimethyl-16-oxa-10-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),4,11,13,17-hexaene-6,8,19-trione
|
393.40
|
2.3
|
2
|
7
|
105.83
|
0
|
|
|
5-hydroxy-3-methyl-1H-benzo[f][2]benzofuran-4-one
|
214.22
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
Epifriedelanol acetate
|
470.80
|
10.7
|
0
|
2
|
26.3
|
2
|
|
|
[(3R,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-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-yl] acetate
|
470.80
|
10.7
|
0
|
2
|
26.3
|
2
|
|
|
Methyl pheophorbide b
|
620.70
|
2.4
|
2
|
10
|
139.01
|
8
|
|
|
methyl (3R,21S,22S)-16-ethenyl-22-(3-ethoxy-3-oxopropyl)-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
|
620.70
|
3.4
|
2
|
9
|
121.94
|
9
|
|
|
methyl (3R,21S,22S)-16-ethenyl-22-(3-ethoxy-3-oxopropyl)-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate
|
634.70
|
2.7
|
2
|
10
|
139.01
|
9
|
|
|
3-[14,16-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
943.10
|
-0.1
|
9
|
19
|
282.21
|
10
|
|
|
Card-20(22)-enolide, 3-[(O-beta-D-glucopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxy-, (3beta,5beta,16beta)-
|
943.10
|
-0.1
|
9
|
19
|
282.21
|
10
|
|
|
Cyclododecyne
|
164.29
|
5.3
|
0
|
0
|
0
|
0
|
|
|
4-Hydroxyphenazine-1-carboxylic acid
|
240.21
|
1.8
|
2
|
5
|
83.31
|
1
|
|
|
2,2-Dimethylchroman
|
162.23
|
2.9
|
0
|
1
|
9.23
|
0
|
|
|
molybdopterin-AMP
|
724.60
|
-5.4
|
11
|
21
|
423.88
|
9
|
|
|
(6S)-6-[(2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
|
226.23
|
-1.4
|
5
|
6
|
110.27
|
2
|
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