Compounds

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ALA2285730
Name:
N-(4-fluorobenzylidene)-3-cyclohexylpropionic acid hydrazide
Mol. Formula:
C16H21FN2O
M.W.:
276.36
7 activity values
7 unique targets
Type:
Small molecule
AlogP:
3.64
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2272377
Name:
2-[4'-(3'',4''-methylenedioxyphenyl)butyl]-4-quinolone
Mol. Formula:
C20H19NO3
M.W.:
321.38
3 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
51.32
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
2-Nonylquinolin-4(1H)-one
Name:
2-n-Nonylquinolin-4(1H)-one
Mol. Formula:
C18H25NO
M.W.:
271.40
12 activity values
9 unique targets
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
32.86
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2270127
Name:
1-methyl-2-[6-(3,4-methylenedioxyphenyl)hexyl]quinolin-4(1H)-one
Mol. Formula:
C23H25NO3
M.W.:
363.46
11 activity values
7 unique targets
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
40.46
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE