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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
orthosiphol T
|
634.70
|
4.7
|
3
|
10
|
156.66
|
9
|
|
|
(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-19-(hydroxymethyl)-22-(2-hydroxypropan-2-yl)-3,8,8,17-tetramethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
|
652.80
|
1.1
|
7
|
11
|
178.53
|
4
|
|
|
[(1S,2S,5R,7S,10R,12R,14R,15R,16R,17S,18R,21R,22R,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate
|
678.80
|
2.9
|
5
|
11
|
164.37
|
4
|
|
|
Allethrolone
|
152.19
|
0.4
|
1
|
2
|
37.3
|
2
|
|
|
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',16-dihydroxy-9,13-dimethyl-5'-methylidene-4'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
|
1265.30
|
-5.1
|
14
|
30
|
446.58
|
17
|
|
|
Carveol, (-)-
|
152.23
|
2.1
|
1
|
1
|
20.23
|
1
|
|
|
2-Epilentiginosine
|
157.21
|
-0.3
|
2
|
3
|
43.7
|
0
|
|
|
(3aR,6S,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a,6-diol
|
158.19
|
-0.3
|
2
|
3
|
49.69
|
0
|
|
|
Albene
|
162.27
|
4.1
|
0
|
0
|
0
|
0
|
|
|
Ningpogenin
|
170.21
|
-1
|
2
|
3
|
49.69
|
2
|
|
|
(2S)-2-amino-2-[(1S,2R)-2-(carboxymethyl)cyclopropyl]acetic acid
|
173.17
|
-3.2
|
3
|
5
|
100.62
|
4
|
|
|
(1R,2S,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
|
173.21
|
-1.3
|
3
|
4
|
63.93
|
0
|
|
|
(4S,4aS,8aS)-4,8a-dimethyl-1,2,3,4,5,8-hexahydronaphthalen-4a-ol
|
180.29
|
3.1
|
1
|
1
|
20.23
|
0
|
|
|
3-Methyltridecane
|
198.39
|
7.5
|
0
|
0
|
0
|
10
|
|
|
Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-
|
202.33
|
5.5
|
0
|
0
|
0
|
1
|
|
|
(1R,6S,7S)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
|
204.35
|
4.9
|
0
|
0
|
0
|
0
|
|
|
(4S)-6-hydroxy-7-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-one
|
206.24
|
1.7
|
2
|
3
|
57.53
|
1
|
|
|
(3R,5S,6S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
|
218.33
|
4
|
0
|
1
|
17.07
|
1
|
|
|
alpha-Santalol
|
220.35
|
4
|
1
|
1
|
20.23
|
4
|
|
|
(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecane-4,11-dione
|
223.27
|
0.8
|
0
|
3
|
46.61
|
0
|
|
|
5-(2-Hydroxy-5-methylphenyl)-6-methyl-2-heptanone
|
234.33
|
3.3
|
1
|
2
|
37.3
|
5
|
|
|
1-[(2R,4S,5R)-4-deuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
|
243.23
|
-1.2
|
3
|
5
|
104.55
|
2
|
|
|
2'-Aminoacetophenone
|
135.16
|
1.6
|
1
|
2
|
43.09
|
1
|
|
|
(5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
|
250.33
|
2.8
|
1
|
3
|
46.53
|
0
|
|
|
(3S)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
|
259.30
|
2.5
|
1
|
4
|
51.58
|
1
|
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