Type:
Small moleculeAlogP:
5.87Polar Surface Area:
89.81HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS
Type:
Small moleculeAlogP:
5.53Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
5.66Polar Surface Area:
58.12HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA3425703Name:
(E)-N-(2-((2-(4-chlorostyryl)benzo[g]quinazolin-4-yl)amino)ethyl)acetamideMol. Formula:
C24H21ClN4OM.W.:
416.91Type:
Small moleculeAlogP:
5.15Polar Surface Area:
66.91HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
4.98Polar Surface Area:
63.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS-
Type:
Small moleculeAlogP:
5.72Polar Surface Area:
37.81HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA3425700
Name:
(E)-tert-butyl 2-(2-(4-chlorostyryl)benzo[g]quinazolin-4-ylamino)acetateMol. Formula:
C26H24ClN3O2M.W.:
445.95Type:
Small moleculeAlogP:
6.36Polar Surface Area:
64.11HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
6.54Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA3425698
Name:
(E)-2-(4-chlorostyryl)-N-(3-methoxypropyl)benzo[g]quinazolin-4-amineMol. Formula:
C24H22ClN3OM.W.:
403.91Type:
Small moleculeAlogP:
6.06Polar Surface Area:
47.04HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.97Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA3425696
Name:
Tert-butyl-(E)-(2-(4-chlorostyryl)benzo[g]quinazolin-4-yl)glycinateMol. Formula:
C23H20ClN3OM.W.:
389.89Type:
Small moleculeAlogP:
5.67Polar Surface Area:
47.04HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3425695
Name:
(E)-2-(4-chlorostyryl)-N-(2-(methylthio)ethyl)benzo[g]quinazolin-4-amineMol. Formula:
C23H20ClN3SM.W.:
405.95Type:
Small moleculeAlogP:
6.38Polar Surface Area:
37.81HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
5.55Polar Surface Area:
38.25HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.13Polar Surface Area:
63.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
5.70Polar Surface Area:
76.14HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3425691
Name:
(E)-2-(4-chlorostyryl)-N-(2-methoxyethyl)-6-methylquinazolin-4-amineMol. Formula:
C20H20ClN3OM.W.:
353.85Type:
Small moleculeAlogP:
4.82Polar Surface Area:
47.04HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.50Polar Surface Area:
70.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
92.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
6.38Polar Surface Area:
41.05HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
6.16Polar Surface Area:
41.05HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS
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