ALA4176905Name:
N4-(4-Methoxyphenyl)-2-(pyridin-3-yl)quinazoline-4,6-diamineMol. Formula:
C20H17N5OM.W.:
343.39Type:
Small moleculeAlogP:
4.03Polar Surface Area:
85.95HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4172752Name:
N-(3-Fluorophenyl)-2-(3-methoxyphenyl)-6-nitroquinazolin-4-amineMol. Formula:
C21H15FN4O3M.W.:
390.37Type:
Small moleculeAlogP:
5.10Polar Surface Area:
90.18HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA4168022Name:
3-((6-Nitro-2-(3-(trifluoromethyl)phenyl)quinazolin-4-yl)amino)-phenolMol. Formula:
C21H13F3N4O3M.W.:
426.35Type:
Small moleculeAlogP:
5.67Polar Surface Area:
101.18HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
5.98Polar Surface Area:
99.41HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
5.58Polar Surface Area:
144.32HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.22DETAILS- ALA4164155
Name:
N-(4-Methoxyphenyl)-6-nitro-2-(pyridin-4-yl)quinazolin-4-amineMol. Formula:
C20H15N5O3M.W.:
373.37Type:
Small moleculeAlogP:
4.35Polar Surface Area:
103.07HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4163310
Name:
4-((2-(3-Methoxyphenyl)-6-nitroquinazolin-4-yl)amino)-benzonitrileMol. Formula:
C22H15N5O3M.W.:
397.39Type:
Small moleculeAlogP:
4.83Polar Surface Area:
113.97HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4163063
Name:
2-Nitro-4-((6-nitro-2-phenylquinazolin-4-yl)amino)phenolMol. Formula:
C20H13N5O5M.W.:
403.35Type:
Small moleculeAlogP:
4.56Polar Surface Area:
144.32HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4159686
Name:
3-((6-Nitro-2-(pyridin-4-yl)quinazolin-4-yl)amino)benzonitrileMol. Formula:
C20H12N6O2M.W.:
368.36Type:
Small moleculeAlogP:
4.22Polar Surface Area:
117.63HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4104871
Name:
N-(5-iodo-6-methylpyridin-2-yl)-3-(trifluoromethyl)benzamideMol. Formula:
C14H10F3IN2OM.W.:
406.14Type:
Small moleculeAlogP:
4.27Polar Surface Area:
41.99HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4104626
Name:
N-(1H-imidazol-2-yl)-3-(trifluoromethyl)benzamideMol. Formula:
C11H8F3N3OM.W.:
255.20Type:
Small moleculeAlogP:
2.68Polar Surface Area:
57.78HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.87DETAILS - ALA4103670
Name:
N-(5-phenylpyridin-2-yl)pyrimidine-5-carboxamideMol. Formula:
C16H12N4OM.W.:
276.30Type:
Small moleculeAlogP:
2.79Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4103163
Name:
N-(5-iodo-6-methylpyridin-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamideMol. Formula:
C17H17IN4O3M.W.:
452.25Type:
Small moleculeAlogP:
3.76Polar Surface Area:
88.37HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA4103073
Name:
N-(5-chloro-6-methylpyridin-2-yl)pyrimidine-5-carboxamideMol. Formula:
C11H9ClN4OM.W.:
248.67Type:
Small moleculeAlogP:
2.09Polar Surface Area:
67.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
54.88HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4102350
Name:
N-(5-chloro-6-methylpyridin-2-yl)oxazole-5-carboxamideMol. Formula:
C10H8ClN3O2M.W.:
237.65Type:
Small moleculeAlogP:
2.28Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
1.57Polar Surface Area:
100.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4099317
Name:
N-(4-iodo-2,5-dimethylphenyl)-2-methyl-3-nitrobenzamideMol. Formula:
C16H15IN2O3M.W.:
410.21Type:
Small moleculeAlogP:
4.38Polar Surface Area:
72.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4096177
Name:
N-(5-bromo-6-methylpyrazin-2-yl)-3-(trifluoromethyl)benzamideMol. Formula:
C13H9BrF3N3OM.W.:
360.13Type:
Small moleculeAlogP:
3.82Polar Surface Area:
54.88HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.89DETAILS
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