Compounds

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ALA2287147
Name:
Methyl 3,4-dimethoxybenzalmalonate
Mol. Formula:
C14H16O6
M.W.:
280.28
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
71.06
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2287146
Name:
Methyl cis-3,4-dimethoxycinnamate
Mol. Formula:
C12H14O4
M.W.:
222.24
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.89
Polar Surface Area:
44.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2287145
Name:
Methyl cis-ferulate
Mol. Formula:
C11H12O4
M.W.:
208.21
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
55.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA2287138
Name:
Methyl 3-methoxy-4-hydroxy-benzalmalonate
Mol. Formula:
C13H14O6
M.W.:
266.25
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.13
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE