Compounds

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ALA1627061
Name:
Magnesium; (R)-hydroxy-phenyl-acetate
Mol. Formula:
C8H6MgO3
M.W.:
174.44
6 activity values
1 unique targets
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1161801
Name:
1,1-diphenyl-1-hydroxymethylphosphonate
Mol. Formula:
C13H13O4P
M.W.:
264.22
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.06
Polar Surface Area:
77.76
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA232021
Name:
1-hydroxyoxindole
Mol. Formula:
C8H7NO2
M.W.:
149.15

Type:
Small molecule
AlogP:
0.96
Polar Surface Area:
40.54
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.56
DETAILS
CLOSE
ALA388471
Name:
N-hydroxy-N-nitrosobenzenamine
Mol. Formula:
C6H6N2O2
M.W.:
138.13
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.56
Polar Surface Area:
52.90
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.50
DETAILS
CLOSE
ALA232642
Name:
N-hydroxyformanilide
Mol. Formula:
C7H7NO2
M.W.:
137.14
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.04
Polar Surface Area:
40.54
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.38
DETAILS
CLOSE