Compounds

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ALA2047305
Name:
N-{2-O-[2-Acetamido-1,2,5-trideoxy-1,5-imino-D-glucitol-3-yl]-D-lactoyl}-L-Show More⌵
Mol. Formula:
C19H33ClN4O10
M.W.:
512.94
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
-3.47
Polar Surface Area:
223.62
HBA:
9
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA2047304
Name:
N-{2-O-[2-Acetamido-1,2,5-trideoxy-1,5-imino-D-glucitol-3-yl]-D-lactoyl}-L-Show More⌵
Mol. Formula:
C14H26ClN3O7
M.W.:
383.83
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
-2.82
Polar Surface Area:
157.22
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2047303
Name:
2-Acetamido-3-O-[(1R)-1-carboxy]ethyl-1,2,5-trideoxy-1,5-imino-D-glucitol hShow More⌵
Mol. Formula:
C11H21ClN2O6
M.W.:
312.75
3 activity values
2 unique targets
Type:
Small molecule
AlogP:
-2.33
Polar Surface Area:
128.12
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA2047302
Name:
2-Acetamido-1,2,5-trideoxy-1,5-imino-D-glucitol hydrochloride
Mol. Formula:
C8H17ClN2O4
M.W.:
240.69
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-2.82
Polar Surface Area:
101.82
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE