Type:
---AlogP:
3.28Polar Surface Area:
90.07HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA5221112Name:
(R)-1-(4,5-dimethylquinazolin-2-yl)-3-(pyrrolidin-3-yl)guanidineMol. Formula:
C15H20N6M.W.:
284.37Type:
---AlogP:
1.54Polar Surface Area:
85.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA5221098Name:
(S)-1-(4,5-dimethylquinazolin-2-yl)-3-(pyrrolidin-3-yl)guanidineMol. Formula:
C15H20N6M.W.:
284.37Type:
---AlogP:
1.54Polar Surface Area:
85.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
3.24Polar Surface Area:
76.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
---AlogP:
3.23Polar Surface Area:
90.07HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS- ALA5221022
Name:
1-(4,7-dimethylquinazolin-2-yl)-3-(2-(2-hydroxyethoxy)ethyl)guanidineMol. Formula:
C15H21N5O2M.W.:
303.37Type:
---AlogP:
1.19Polar Surface Area:
103.15HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
2.10Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5221018
Name:
1-(4,7-dimethylquinazolin-2-yl)-3-(2-methoxyethyl)guanidineMol. Formula:
C14H19N5OM.W.:
273.34Type:
---AlogP:
1.83Polar Surface Area:
82.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5220981
Name:
1-(3-(dimethylamino)propyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)guanidineMol. Formula:
C17H24N6M.W.:
312.42Type:
---AlogP:
2.34Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5220946
Name:
1-(3-methoxyphenyl)-3-(4-methylquinazolin-2-yl)guanidineMol. Formula:
C17H17N5OM.W.:
307.36Type:
---AlogP:
3.41Polar Surface Area:
82.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5220908
Name:
7-chloro-4-methyl-2-(sulfamoylamino)quinazolineMol. Formula:
C9H9ClN4O2SM.W.:
272.72Type:
---AlogP:
1.21Polar Surface Area:
97.97HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
2.89Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5220879
Name:
1-(7-chloro-4-methylquinazolin-2-yl)-3-(3-(dimethylamino)phenyl)guanidineMol. Formula:
C18H19ClN6M.W.:
354.85Type:
---AlogP:
4.12Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5220870
Name:
1-(7-fluoro-4-methylquinazolin-2-yl)-3-(3-(pyrrolidin-1-yl)propyl)guanidineMol. Formula:
C17H23FN6M.W.:
330.41Type:
---AlogP:
2.50Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
2.07Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5220801
Name:
1-(7-chloro-4-methylquinazolin-2-yl)-3-(3-(dimethylamino)propyl)guanidineMol. Formula:
C15H21ClN6M.W.:
320.83Type:
---AlogP:
2.48Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5220795
Name:
1-(6-(dimethylamino)hexyl)-3-(7-fluoro-4-methylquinazolin-2-yl)guanidineMol. Formula:
C18H27FN6M.W.:
346.45Type:
---AlogP:
3.14Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
2.84Polar Surface Area:
90.07HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA5220694
Name:
1-(3-(diethylamino)propyl)-3-(7-fluoro-4-methylquinazolin-2-yl)guanidineMol. Formula:
C17H25FN6M.W.:
332.43Type:
---AlogP:
2.75Polar Surface Area:
76.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5220640
Name:
1-(3-(dimethylamino)propyl)-1-methyl-3-(4-methylquinazolin-2-yl)guanidineMol. Formula:
C16H24N6M.W.:
300.41Type:
---AlogP:
2.17Polar Surface Area:
68.14HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
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