ALA5273868Name:
4-((2-(naphthalen-2-yl)ethyl)amino)quinazoline-6-carbonitrileMol. Formula:
C21H16N4M.W.:
324.39Type:
---AlogP:
4.31Polar Surface Area:
61.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA5209488Name:
5-(1-phenyl-1H-pyrazol-4-yl)pyridin-3-yl 4-ethoxybenzoateMol. Formula:
C23H19N3O3M.W.:
385.42Type:
---AlogP:
4.55Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
Type:
---AlogP:
3.63Polar Surface Area:
44.24HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA5197525Name:
4-(3-phenylureido)pyridin-3-yl 4-ethoxybenzoateMol. Formula:
C21H19N3O4M.W.:
377.40Type:
---AlogP:
4.34Polar Surface Area:
89.55HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA5193689Name:
[4-(1-Phenyl-4-piperidyl)-3-pyridyl] 4-EthoxybenzoateMol. Formula:
C25H26N2O3M.W.:
402.49Type:
---AlogP:
5.08Polar Surface Area:
51.66HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS-
Type:
---AlogP:
2.70Polar Surface Area:
48.42HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
2.37Polar Surface Area:
42.35HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA5190642
Name:
4-(1-phenyl-1H-pyrazol-4-yl)pyridin-3-yl 4-ethoxybenzoateMol. Formula:
C23H19N3O3M.W.:
385.42Type:
---AlogP:
4.55Polar Surface Area:
66.24HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5189872
Name:
5-(3-phenylureido)pyridin-3-yl 4-ethoxybenzoateMol. Formula:
C21H19N3O4M.W.:
377.40Type:
---AlogP:
4.34Polar Surface Area:
89.55HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
---AlogP:
4.17Polar Surface Area:
74.33HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5176970
Name:
[5-(1-Phenyl-4-piperidyl)-3-pyridyl] 4-EthoxybenzoateMol. Formula:
C25H26N2O3M.W.:
402.49Type:
---AlogP:
5.08Polar Surface Area:
51.66HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
5.10Polar Surface Area:
69.02HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
4.02Polar Surface Area:
98.28HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5093671
Name:
N-methyl-4-(phenethylamino)quinoline-6-carboxamideMol. Formula:
C19H19N3OM.W.:
305.38Type:
UnknownAlogP:
3.25Polar Surface Area:
54.02HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
5.90Polar Surface Area:
107.35HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
UnknownAlogP:
2.99Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
4.34Polar Surface Area:
95.04HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
4.12Polar Surface Area:
92.08HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
4.22Polar Surface Area:
89.33HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
5.61Polar Surface Area:
98.56HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
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