Compounds

Select all

ALA2272831
Name:
1-(4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl)-3,5-dimethyl-4-nitro-1H-pyraShow More⌵
Mol. Formula:
C14H11ClFN3O3
M.W.:
323.71
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
70.19
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2272821
Name:
5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
Mol. Formula:
C11H5Cl2F3N4
M.W.:
321.09
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
67.63
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA2272820
Name:
5-Chloro-1-(4-chloro-5-difluoromethoxy-2-fluorophenyl)-3,4-tetramethylenepyShow More⌵
Mol. Formula:
C14H11Cl2F3N2O
M.W.:
351.15
7 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
27.05
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA2269734
Name:
2-(4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl)-4,5,6,7-tetrahydro-1H-isoindShow More⌵
Mol. Formula:
C17H13ClFNO3
M.W.:
333.75
14 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2268925
Name:
methyl 2-(2-chloro-5-(1,3-dithioxotetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridShow More⌵
Mol. Formula:
C15H15ClFN3O2S3
M.W.:
419.96
5 activity values
3 unique targets
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
41.09
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE