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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
|
1209.30
|
-4.4
|
15
|
28
|
431.28
|
14
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
|
1209.30
|
-4.4
|
15
|
28
|
431.28
|
14
|
|
|
(2R,3R,4S,5S,6R)-2-[(1S,2S,4S,4'S,5'S,6R,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-4'-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1389.40
|
-6.3
|
20
|
34
|
533.82
|
17
|
|
|
Bicyclo[2.2.1]heptane, 1,3,3-trimethyl-, (1S,4R)-
|
138.25
|
4
|
0
|
0
|
0
|
0
|
|
|
1-Deuteriodecane
|
143.29
|
5
|
0
|
0
|
0
|
7
|
|
|
cis-3-Butyl-4-vinylcyclopentene
|
150.26
|
4.2
|
0
|
0
|
0
|
4
|
|
|
(1R,2R,4R,5R)-cyclohexane-1,2,3,4,5-pentol
|
164.16
|
-2.7
|
5
|
5
|
101.15
|
0
|
|
|
Trimethylthiophene-2-carboxylicacid
|
170.23
|
2.6
|
1
|
3
|
65.54
|
1
|
|
|
2,9-Dihydro-1H-pyrido[3,4-b]indol-1-one
|
184.19
|
1.8
|
2
|
1
|
48.65
|
0
|
|
|
(5S)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methylcyclohex-2-en-1-one
|
184.23
|
0.1
|
2
|
3
|
57.53
|
2
|
|
|
(E)-oxacyclotridec-10-en-2-one
|
196.29
|
3.7
|
0
|
2
|
26.3
|
0
|
|
|
8-Methyl-5-propan-2-ylnaphthalen-2-ol
|
200.28
|
4.3
|
1
|
1
|
20.23
|
1
|
|
|
3-(3-Methylbutylidene)-1(3H)-isobenzofuranone
|
202.25
|
3.4
|
0
|
2
|
26.3
|
2
|
|
|
1,7-di-epi-alpha-Cedrene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
(1R)-1-Phenyl-2-[(2R)-piperidin-2-yl]ethanol
|
205.30
|
1.9
|
2
|
2
|
32.26
|
3
|
|
|
4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-one
|
210.31
|
1.4
|
1
|
2
|
37.3
|
3
|
|
|
5-Acetyl-4-hydroxy-2-isopropenylbenzofuran
|
216.23
|
3.6
|
1
|
3
|
50.44
|
2
|
|
|
(1R,6R,7R,8R)-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undecan-8-ol
|
222.37
|
4.4
|
1
|
1
|
20.23
|
0
|
|
|
(-)-Hinesol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
(1S,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol
|
240.38
|
3.9
|
2
|
2
|
40.46
|
1
|
|
|
Pterodondiol
|
240.38
|
3
|
2
|
2
|
40.46
|
1
|
|
|
2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one
|
242.23
|
2.3
|
2
|
4
|
66.76
|
1
|
|
|
Dendocarbin B
|
250.33
|
2
|
1
|
3
|
46.53
|
0
|
|
|
Hexadecane-8,9-dione
|
254.41
|
5.6
|
0
|
2
|
34.14
|
13
|
|
|
5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
|
258.27
|
3.1
|
3
|
4
|
69.92
|
3
|
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