Compounds

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4'-Cyanoacetophenone
Name:
4-acetylbenzonitrile
Mol. Formula:
C9H7NO
M.W.:
145.16
3 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.76
Polar Surface Area:
40.86
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.56
DETAILS
CLOSE
4'-Bromoacetophenone
Name:
1-(4-bromophenyl)ethanone
Mol. Formula:
C8H7BrO
M.W.:
199.05
34 activity values
9 unique targets
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.64
DETAILS
CLOSE
4'-Methylacetophenone
Name:
1-p-tolylethanone
Mol. Formula:
C9H10O
M.W.:
134.18
6 activity values
1 unique targets
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.54
DETAILS
CLOSE
1-[4-(Dimethylamino)phenyl]ethanone
Name:
1-(4-(dimethylamino)phenyl)ethanone
Mol. Formula:
C10H13NO
M.W.:
163.22
7 activity values
2 unique targets
Type:
Small molecule
AlogP:
1.96
Polar Surface Area:
20.31
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.62
DETAILS
CLOSE
4-Methoxyacetophenone
Name:
1-(4-methoxyphenyl)ethanone
Mol. Formula:
C9H10O2
M.W.:
150.18
28 activity values
10 unique targets
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.60
DETAILS
CLOSE