Type:
Small moleculeAlogP:
1.38Polar Surface Area:
84.06HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILSType:
Small moleculeAlogP:
2.00Polar Surface Area:
84.06HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILSType:
Small moleculeAlogP:
2.32Polar Surface Area:
63.83HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILSType:
Small moleculeAlogP:
2.25Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILSType:
Small moleculeAlogP:
2.50Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILSType:
Small moleculeAlogP:
0.51Polar Surface Area:
90.64HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS- ALA353575
Name:
5-Bromo-6-p-tolylamino-1H-pyrimidine-2,4-dioneMol. Formula:
C11H10BrN3O2M.W.:
296.12Type:
Small moleculeAlogP:
2.70Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA347010
Name:
N*4*-Benzyl-6-(4-chloro-benzylsulfanyl)-pyrimidine-2,4-diamineMol. Formula:
C18H17ClN4SM.W.:
356.88Type:
Small moleculeAlogP:
4.62Polar Surface Area:
63.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS Type:
Small moleculeAlogP:
0.07Polar Surface Area:
90.64HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILSType:
Small moleculeAlogP:
2.26Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILSType:
Small moleculeAlogP:
2.10Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS- ALA157927
Name:
5-Nitroso-6-p-tolylamino-1H-pyrimidine-2,4-dioneMol. Formula:
C11H10N4O3M.W.:
246.23Type:
Small moleculeAlogP:
2.34Polar Surface Area:
107.70HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA158985
Name:
N*4*-Benzyl-6-benzylsulfanyl-pyrimidine-2,4-diamineMol. Formula:
C18H18N4SM.W.:
322.44Type:
Small moleculeAlogP:
3.96Polar Surface Area:
63.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS Type:
Small moleculeAlogP:
1.90Polar Surface Area:
107.70HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILSType:
Small moleculeAlogP:
1.63Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA331962
Name:
6-(3,5-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C12H13N3O2M.W.:
231.25Type:
Small moleculeAlogP:
2.25Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA124740
Name:
6-(5-Hydroxy-pentylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C9H15N3O3M.W.:
213.24Type:
Small moleculeAlogP:
0.46Polar Surface Area:
98.50HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA123638
Name:
6-(Naphthalen-1-ylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C14H11N3O2M.W.:
253.26Type:
Small moleculeAlogP:
2.78Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA125067
Name:
6-(2,3-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dioneMol. Formula:
C12H13N3O2M.W.:
231.25Type:
Small moleculeAlogP:
2.25Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS Type:
Small moleculeAlogP:
1.10Polar Surface Area:
78.27HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS