Compounds

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ALA519261
Name:
(2R,3S,4S,5S,6R)-2-((2R,3R,4R,5R)-4-hydroxy-2-(2-hydroxyethyl)-5-(hydroxymeShow More⌵
Mol. Formula:
C13H25NO9
M.W.:
339.34
9 activity values
7 unique targets
Type:
Small molecule
AlogP:
-4.75
Polar Surface Area:
172.10
HBA:
10
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
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ALA522570
Name:
(2S,3S,4S,5S,6R)-2-((2R,3S,4S,5R,6R)-3,5-dihydroxy-2-((2R,3R,4R,5R)-4-hydroShow More⌵
Mol. Formula:
C19H35NO14
M.W.:
501.48
9 activity values
7 unique targets
Type:
Small molecule
AlogP:
-6.93
Polar Surface Area:
251.25
HBA:
15
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
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Carboxypeptidase A from bovine pancreas
Name:
2-Hexyl-6-hydroxymethyl-piperidine-3,4,5-triol
Mol. Formula:
C12H25NO4
M.W.:
247.33
7 activity values
5 unique targets
Type:
Small molecule
AlogP:
-0.63
Polar Surface Area:
92.95
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
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