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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,5-Dimethyltetrahydrofuran
|
100.16
|
1.2
|
0
|
1
|
9.23
|
0
|
|
|
6-(2-Hydroxy-5-methylphenyl)-6-methylheptan-2-one
|
234.33
|
3.6
|
1
|
2
|
37.3
|
5
|
|
|
CID 13855360
|
404.50
|
1.7
|
1
|
7
|
98.5
|
4
|
|
|
[(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
|
444.50
|
4.4
|
2
|
4
|
84.5
|
11
|
|
|
benzyl 3-(1H-indol-3-yl)propanoate
|
279.30
|
3.6
|
1
|
2
|
42.09
|
6
|
|
|
2-Hydroxy-3-methoxy-12-methyl-12h-[1,3]dioxolo [4',5':4,5]benzo[1,2-c]-phenanthridin-13-one
|
349.30
|
3.3
|
1
|
5
|
69.92
|
1
|
|
|
(1R,13R,15S)-5,7-Dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-ol
|
273.33
|
1.8
|
1
|
4
|
41.93
|
0
|
|
|
(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
|
305.40
|
2.7
|
2
|
4
|
52.93
|
4
|
|
|
(1S,2R,3R,6S,7R,8S)-3,7-dimethyl-10-propan-2-yl-11,12-dioxatricyclo[5.3.2.02,6]dodec-9-en-8-ol
|
252.35
|
2.4
|
1
|
3
|
38.69
|
1
|
|
|
(1R,2R,3R,6S,7S)-3,7-dimethyl-10-propan-2-yl-11,12-dioxatricyclo[5.3.2.02,6]dodec-9-en-8-one
|
250.33
|
2.8
|
0
|
3
|
35.53
|
1
|
|
|
Zqoleeahzkxyol-altyaodhsa-
|
250.33
|
2.8
|
0
|
3
|
35.53
|
1
|
|
|
Alpinenone
|
250.33
|
2
|
1
|
3
|
46.53
|
1
|
|
|
(5S)-5-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-5-hydroxy-4-propan-2-ylfuran-2-one
|
266.33
|
1.6
|
1
|
4
|
63.6
|
3
|
|
|
6-methyl-3-methylidene-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
422.40
|
-1.3
|
4
|
9
|
142.75
|
4
|
|
|
Ghsrdmybbwwngl-nppwktabsa-
|
422.40
|
-1.3
|
4
|
9
|
142.75
|
4
|
|
|
(3aS,6E,9S,10E,11aS)-6,10-dimethyl-3-methylidene-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
410.50
|
0.1
|
4
|
8
|
125.68
|
3
|
|
|
Sonchuside C
|
412.50
|
0.1
|
4
|
8
|
125.68
|
3
|
|
|
(3S,3aS,5aS,8S,9bS)-3,5a,9-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
|
412.50
|
0.1
|
4
|
8
|
125.68
|
3
|
|
|
(3S,3aS,5aS,8S,9bS)-3,5a,9-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
|
412.50
|
0.1
|
4
|
8
|
125.68
|
3
|
|
|
(3aS,5aR,6R,9aS,9bS)-5a-methyl-3,9-dimethylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
410.50
|
0.5
|
4
|
8
|
125.68
|
3
|
|
|
(3aS,5aS,6S,9aR,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
248.32
|
2
|
1
|
3
|
46.53
|
0
|
|
|
CID 13855759
|
484.60
|
2.3
|
6
|
8
|
139.84
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
484.60
|
1.7
|
6
|
8
|
139.84
|
8
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
644.70
|
1.2
|
8
|
13
|
215.83
|
11
|
|
|
(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
630.80
|
1.5
|
8
|
12
|
198.76
|
11
|
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