Type:
Small moleculeAlogP:
6.03Polar Surface Area:
87.05HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
7.69Polar Surface Area:
124.01HBA:
4HBD:
3#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
6.68Polar Surface Area:
133.24HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
86.22HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
Small moleculeAlogP:
2.74Polar Surface Area:
97.22HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.70DETAILS-
Type:
Small moleculeAlogP:
2.46Polar Surface Area:
98.99HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2261432
Name:
3-(5-acetyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-ylthio)propanoic acidMol. Formula:
C16H18N2O3SM.W.:
318.40Type:
Small moleculeAlogP:
2.76Polar Surface Area:
78.76HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA214492
Name:
5-(2-methyl-1-(3,4,5-trimethoxyphenyl)propyl)pyrimidine-2,4-diamineMol. Formula:
C17H24N4O3M.W.:
332.40Type:
Small moleculeAlogP:
2.45Polar Surface Area:
105.51HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA212812
Name:
5-(1-(3,4,5-trimethoxyphenyl)propyl)pyrimidine-2,4-diamineMol. Formula:
C16H22N4O3M.W.:
318.38Type:
Small moleculeAlogP:
2.21Polar Surface Area:
105.51HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS
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