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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Berbacolorflammine
|
605.70
|
6.7
|
1
|
7
|
73.5
|
3
|
|
|
Alkhanin
|
264.32
|
0.9
|
1
|
4
|
63.6
|
0
|
|
|
(3S,3aS,5aR,6S,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
|
264.32
|
0.9
|
1
|
4
|
63.6
|
0
|
|
|
(3S,3aS,5aR,6R,9bS)-6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
|
264.32
|
0.9
|
1
|
4
|
63.6
|
0
|
|
|
Alkhanol
|
266.33
|
0.6
|
2
|
4
|
66.76
|
0
|
|
|
(3S,3aS,5aR,6S,8R,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
|
266.33
|
0.6
|
2
|
4
|
66.76
|
0
|
|
|
(3S,3aS,5aR,6R,8R,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
|
266.33
|
0.6
|
2
|
4
|
66.76
|
0
|
|
|
Armefolin
|
264.32
|
0.4
|
2
|
4
|
66.76
|
0
|
|
|
Deoxycytidine 5'-monophosphate
|
307.20
|
-3.4
|
4
|
7
|
166.94
|
4
|
|
|
8-Hydroxy-4-methylindeno[1,2-b]pyridin-5-one
|
211.22
|
2
|
1
|
3
|
50.19
|
0
|
|
|
[(3R)-5-[(1S,4aR,5S,8aR)-5-formyl-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentyl] acetate
|
348.50
|
5.4
|
0
|
3
|
43.37
|
8
|
|
|
5-(5-acetyloxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
364.50
|
5.5
|
1
|
4
|
63.6
|
8
|
|
|
(1S,4aR,5S,8aR)-5-[(3R)-5-acetyloxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
364.50
|
5.5
|
1
|
4
|
63.6
|
8
|
|
|
1-(1,3-Benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-(1-methylpyrrolidin-2-yl)isoquinoline
|
406.50
|
4.2
|
0
|
6
|
53.05
|
5
|
|
|
Zeylasterone
|
510.60
|
6.6
|
3
|
7
|
121.13
|
3
|
|
|
Kamebakaurin
|
350.40
|
1.4
|
4
|
5
|
97.99
|
1
|
|
|
Kamebakaurinin
|
350.40
|
1
|
4
|
5
|
97.99
|
1
|
|
|
15,18-Dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
362.50
|
1.8
|
2
|
5
|
75.99
|
1
|
|
|
5,6,17-Trimethoxy-10-azatetracyclo[8.8.0.01,14.03,8]octadeca-3,5,7,14-tetraen-9-one
|
343.40
|
2.1
|
0
|
4
|
48
|
3
|
|
|
(1R,17S)-5,6,17-trimethoxy-10-azatetracyclo[8.8.0.01,14.03,8]octadeca-3,5,7,14-tetraen-9-one
|
343.40
|
2.1
|
0
|
4
|
48
|
3
|
|
|
N,N-Dimethyl-L-tryptophan Hydrochloride
|
232.28
|
-0.1
|
2
|
3
|
56.33
|
4
|
|
|
Picrasidine T
|
481.50
|
4.5
|
4
|
5
|
107.27
|
3
|
|
|
(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,8-triol
|
370.40
|
3.1
|
3
|
6
|
88.38
|
3
|
|
|
(6aS,11aS)-10-(3-hydroxy-3-methylbutyl)-8,9-dimethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
|
402.40
|
2.1
|
3
|
7
|
97.61
|
5
|
|
|
(7-oxo-5,6-dihydropyrrolizin-1-yl)methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
|
295.33
|
0.4
|
2
|
5
|
88.76
|
6
|
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