Compounds

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ALA553215
Name:
3-fluoro-4-((hydroxyimino)methyl)-1-methylpyridinium
Mol. Formula:
C7H8ClFN2O
M.W.:
190.60
7 activity values
4 unique targets
Type:
Small molecule
AlogP:
0.46
Polar Surface Area:
36.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.27
DETAILS
CLOSE
ALA495101
Name:
4-((hydroxyimino)methyl)-1-methylpyridinium
Mol. Formula:
C7H9ClN2O
M.W.:
172.61
8 activity values
5 unique targets
Type:
Small molecule
AlogP:
0.32
Polar Surface Area:
36.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.26
DETAILS
CLOSE
ALA515879
Name:
1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-3-fluoro-4-((hydroxyimino)mShow More⌵
Mol. Formula:
C14H15Cl2FN4O3
M.W.:
377.20
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.06
Polar Surface Area:
92.67
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA474891
Name:
3-fluoro-4-((hydroxyimino)methyl)-1-(((2-((hydroxyimino)methyl)pyridinium-1Show More⌵
Mol. Formula:
C14H15Cl2FN4O3
M.W.:
377.20
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.65
Polar Surface Area:
82.17
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA516229
Name:
1,1'-oxybis(methylene)bis(3-fluoro-4-((hydroxyimino)methyl)pyridinium) chloShow More⌵
Mol. Formula:
C14H14Cl2F2N4O3
M.W.:
395.19
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
0.79
Polar Surface Area:
82.17
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE