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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-2-yl]-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1033.20
|
0.4
|
12
|
20
|
316.6
|
9
|
|
|
(2R,4S)-4-hydroxypiperidine-2-carboxylic acid
|
145.16
|
-3
|
3
|
4
|
69.56
|
1
|
|
|
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI)
|
147.17
|
-1.4
|
4
|
4
|
72.72
|
1
|
|
|
2,3,6-Trideuterio-4-hydroxy-5-methoxybenzaldehyde
|
155.17
|
1.2
|
1
|
3
|
46.53
|
2
|
|
|
(2S,3S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
|
159.18
|
0.6
|
1
|
3
|
60.36
|
0
|
|
|
(E)-2-Isopropenyl-5-methyl-3-hexene-1,5-diol
|
170.25
|
1.4
|
2
|
2
|
40.46
|
4
|
|
|
6,7-dimethoxy-4H-chromene
|
192.21
|
2.3
|
0
|
3
|
27.69
|
2
|
|
|
Annuionone A
|
224.30
|
0.5
|
0
|
3
|
43.37
|
3
|
|
|
5-Hydroxy-3-methylbenzo[f][2]benzofuran-4,9-dione
|
228.20
|
2.5
|
1
|
4
|
67.51
|
0
|
|
|
(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one
|
236.35
|
2.4
|
1
|
2
|
37.3
|
0
|
|
|
(1S,2R,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-2,3-dimethylbicyclo[2.2.1]heptan-2-ol
|
238.37
|
2.8
|
2
|
2
|
40.46
|
4
|
|
|
Toddaquinoline
|
239.23
|
2.9
|
1
|
4
|
51.58
|
0
|
|
|
Coelonin
|
242.27
|
3.1
|
2
|
3
|
49.69
|
1
|
|
|
3-(3,4-Dihydroxyphenyl)-N-phenethylpropenamide, (E)-
|
283.32
|
2.7
|
3
|
3
|
69.56
|
5
|
|
|
(E)-5-[(1R,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
|
290.50
|
5.8
|
1
|
1
|
20.23
|
4
|
|
|
(3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol
|
302.50
|
5.2
|
2
|
2
|
40.46
|
1
|
|
|
Daturabietatriene
|
302.50
|
4.2
|
2
|
2
|
40.46
|
2
|
|
|
(1S,3R,3aR,7aS)-1-ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylidene-2,3,3a,7a-tetrahydro-1H-inden-4-one
|
310.40
|
3.8
|
1
|
3
|
46.53
|
4
|
|
|
(1R,4S,5R,9S,10R,13S)-13-(hydroxymethyl)-5,9-dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
|
318.40
|
3.6
|
1
|
3
|
54.37
|
2
|
|
|
14-[(2S,5R,6R)-5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]tetradecan-2-one
|
341.50
|
4.7
|
3
|
4
|
69.56
|
14
|
|
|
(E)-3-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enoic acid
|
344.30
|
1.8
|
4
|
7
|
116.45
|
4
|
|
|
(7S,8S)-methoxy-3',7-epoxy-8,4'-oxyneolignan-4,9,9'-triol
|
346.40
|
2.1
|
3
|
6
|
88.38
|
6
|
|
|
Dryopteric acid
|
348.30
|
-0.4
|
6
|
8
|
147.68
|
3
|
|
|
(1R,2R,4S,6S,9S,10S,11S,13S)-2,6,11-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-3,15-dione
|
348.40
|
1
|
3
|
5
|
94.83
|
0
|
|
|
1-(2,6-Dihydroxy-4-methoxy-phenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one
|
416.50
|
6.7
|
4
|
6
|
107.22
|
13
|
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