ALA4228576Name:
N-(1-cyanocyclopropyl)-8-hydroxy-5-nitroquinoline-7-carboxamideMol. Formula:
C14H10N4O4M.W.:
298.26Type:
Small moleculeAlogP:
1.63Polar Surface Area:
129.15HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
Small moleculeAlogP:
4.86Polar Surface Area:
30.54HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
47.61HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA1836532Name:
(R)-2-(2-(4,6-dichloro-1,3,5-triazin-2-ylamino)benzamido)propanoic acidMol. Formula:
C13H11Cl2N5O3M.W.:
356.17Type:
Small moleculeAlogP:
2.12Polar Surface Area:
117.10HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA1836526Name:
methyl 2-(4,6-dichloro-1,3,5-triazin-2-ylamino)benzoateMol. Formula:
C11H8Cl2N4O2M.W.:
299.12Type:
Small moleculeAlogP:
2.71Polar Surface Area:
77.00HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS- ALA1836520
Name:
2-(4,6-dimethoxy-1,3,5-triazin-2-ylthio)benzoic acidMol. Formula:
C12H11N3O4SM.W.:
293.30Type:
Small moleculeAlogP:
1.74Polar Surface Area:
94.43HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA1836513
Name:
4-(Benzylthio)-6-(butylthio)-1,3,5-triazin-2(1H)-oneMol. Formula:
C14H17N3OS2M.W.:
307.44Type:
Small moleculeAlogP:
3.35Polar Surface Area:
58.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS
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