Type:
---AlogP:
5.92Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
2.68Polar Surface Area:
76.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4793151Name:
4-(5-(4-Methoxybenzofuran-5-yl)-3-phenyl-1H-pyrazol-1-yl)benzonitrileMol. Formula:
C25H17N3O2M.W.:
391.43Type:
UnknownAlogP:
5.83Polar Surface Area:
63.98HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA4763137Name:
5-(4-Methoxybenzofuran-5-yl)-1-(2-nitrophenyl)-3-phenyl-1H-pyrazoleMol. Formula:
C24H17N3O4M.W.:
411.42Type:
UnknownAlogP:
5.87Polar Surface Area:
83.33HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
UnknownAlogP:
1.17Polar Surface Area:
89.63HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS-
Type:
UnknownAlogP:
0.56Polar Surface Area:
102.52HBA:
10HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4740121
Name:
4-(5-(4-Methoxybenzofuran-5-yl)-3-phenyl-2H-pyrazol-2-yl)benzonitrileMol. Formula:
C25H17N3O2M.W.:
391.43Type:
UnknownAlogP:
5.83Polar Surface Area:
63.98HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
-0.34Polar Surface Area:
130.59HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
4.78Polar Surface Area:
57.90HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4456952
Name:
6,10-dimethoxy-2-(4-methoxyphenyl)benzo[h]quinolin-4(1H)-oneMol. Formula:
C22H19NO4M.W.:
361.40Type:
UnknownAlogP:
4.37Polar Surface Area:
60.55HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
0.13Polar Surface Area:
130.59HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
0.50Polar Surface Area:
102.52HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
49.39HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
56.51HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
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