ALA4876309Name:
(S)-2-(1-(7H-purin-6-ylamino)butyl)-5-chloro-3-phenylquinazolin-4(3H)-oneMol. Formula:
C23H20ClN7OM.W.:
445.91Type:
UnknownAlogP:
4.66Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
UnknownAlogP:
4.66Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4874496Name:
(S)-2-(1-(7H-purin-6-ylamino)butyl)-5-fluoro-3-phenylquinazolin-4(3H)-oneMol. Formula:
C23H20FN7OM.W.:
429.46Type:
UnknownAlogP:
4.14Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
UnknownAlogP:
3.75Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4871071Name:
(S)-2-(1-(7H-purin-6-ylamino)ethyl)-5-amino-3-phenylquinazolin-4(3H)-oneMol. Formula:
C21H18N8OM.W.:
398.43Type:
UnknownAlogP:
2.81Polar Surface Area:
127.40HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
UnknownAlogP:
4.14Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
3.92Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
4.27Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.20Polar Surface Area:
127.40HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
5.02Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
4.51Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4852863
Name:
(S)-2-(1-(7H-purin-6-ylamino)propyl)-5-amino-3-phenylquinazolin-4(3H)-oneMol. Formula:
C22H20N8OM.W.:
412.46Type:
UnknownAlogP:
3.20Polar Surface Area:
127.40HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
3.75Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
4.00Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
3.36Polar Surface Area:
101.38HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS
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