Type:
UnknownAlogP:
4.37Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
0.39Polar Surface Area:
58.20HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
4.62Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2165613
Name:
5-((Biphenyl-3-yloxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C16H14N2O2M.W.:
266.30Type:
Small moleculeAlogP:
2.95Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2165612
Name:
5-((3-Bromophenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C10H9BrN2O2M.W.:
269.10Type:
Small moleculeAlogP:
2.04Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
1.56Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA2165607
Name:
5-((3-Ethylphenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H14N2O2M.W.:
218.26Type:
Small moleculeAlogP:
1.84Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2165606
Name:
5-((4-Ethylphenoxy)methyl)-1H-pyrazol-3(2H)-oneMol. Formula:
C12H14N2O2M.W.:
218.26Type:
Small moleculeAlogP:
1.84Polar Surface Area:
57.88HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
82.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
1.33Polar Surface Area:
82.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
71.71HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
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