Type:
Small moleculeAlogP:
3.21Polar Surface Area:
100.45HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA2334292Name:
2-((3S,4R)-4-phenylpyrrolidin-3-yl)-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-oneMol. Formula:
C21H19N5OM.W.:
357.42Type:
Small moleculeAlogP:
2.78Polar Surface Area:
86.46HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA2334288Name:
2-(amino(4-methoxyphenyl)methyl)-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-oneMol. Formula:
C19H17N5O2M.W.:
347.38Type:
Small moleculeAlogP:
2.37Polar Surface Area:
109.68HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
2.56Polar Surface Area:
109.68HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
109.68HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS-
Type:
Small moleculeAlogP:
2.69Polar Surface Area:
100.45HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.69Polar Surface Area:
100.45HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
86.46HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
109.68HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA2333894
Name:
2-(amino(3-chlorophenyl)methyl)-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-oneMol. Formula:
C18H14ClN5OM.W.:
351.80Type:
Small moleculeAlogP:
3.01Polar Surface Area:
100.45HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
86.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.94Polar Surface Area:
129.55HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
106.77HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
69.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2332056
Name:
1-(4-(1H-Pyrazol-4-yl)phenyl)-3-(1-(3-fluorophenyl)-3-hydroxypropyl)ureaMol. Formula:
C19H19FN4O2M.W.:
354.39Type:
Small moleculeAlogP:
3.46Polar Surface Area:
90.04HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
63.05HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
100.26HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
68.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
46.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
131.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS
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