Compounds

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ALA4177335
Name:
(E)-5-(2-carbamothioylhydrazono)-5-(4-methoxyphenyl)pentanoic acid
Mol. Formula:
C13H17N3O3S
M.W.:
295.36
7 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.49
Polar Surface Area:
96.94
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4176935
Name:
(E)-2-(2-hydroxy-4-methoxybenzylidene)hydrazinecarboxamide
Mol. Formula:
C9H11N3O3
M.W.:
209.21
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.40
Polar Surface Area:
96.94
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4166706
Name:
(E)-4-(2-carbamothioylhydrazono)-4-(4-methoxyphenyl)butanoic acid
Mol. Formula:
C12H15N3O3S
M.W.:
281.34
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.10
Polar Surface Area:
96.94
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4165236
Name:
(E)-4-((2-carbamoylhydrazono)methyl)benzoic acid
Mol. Formula:
C9H9N3O3
M.W.:
207.19
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.39
Polar Surface Area:
104.78
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE