ALA4799076Name:
2-(4-(2-Aminoquinazolin-4-yl)phenyl)-N,N-dimethylacetamideMol. Formula:
C18H20N4M.W.:
292.39Type:
UnknownAlogP:
2.98Polar Surface Area:
55.04HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4763327Name:
9-benzyl-2-(2-methoxyethoxy)-6-(methylamino)-7H-purin-8(9H)-oneMol. Formula:
C16H19N5O3M.W.:
329.36Type:
UnknownAlogP:
1.23Polar Surface Area:
94.06HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
UnknownAlogP:
4.49Polar Surface Area:
63.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA4593996Name:
5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amineMol. Formula:
C16H19N3M.W.:
253.35Type:
UnknownAlogP:
3.31Polar Surface Area:
50.94HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
UnknownAlogP:
0.54Polar Surface Area:
67.59HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS-
Type:
UnknownAlogP:
1.85Polar Surface Area:
75.86HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA4578510
Name:
N4-(2,3-dimethylphenyl)-N6-methylpyrimidine-2,4,6-triamineMol. Formula:
C13H17N5M.W.:
243.31Type:
UnknownAlogP:
2.46Polar Surface Area:
75.86HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
4.32Polar Surface Area:
54.02HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
UnknownAlogP:
3.10Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4574443
Name:
6-(2,3-Dimethylphenoxy)-N4-methylpyrimidine-2,4-diamineMol. Formula:
C13H16N4OM.W.:
244.30Type:
UnknownAlogP:
2.51Polar Surface Area:
73.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4570428
Name:
5-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amineMol. Formula:
C12H8Cl2N4M.W.:
279.13Type:
UnknownAlogP:
3.29Polar Surface Area:
56.21HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
4.07Polar Surface Area:
54.02HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4568781
Name:
4-(2,3-Dichlorophenyl)-6-methyl-1H-benzo[d]imidazol-2-amineMol. Formula:
C14H11Cl2N3M.W.:
292.17Type:
UnknownAlogP:
4.43Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4565830
Name:
N4-methyl-6-(piperidin-1-yl)pyrimidine-2,4-diamineMol. Formula:
C10H17N5M.W.:
207.28Type:
UnknownAlogP:
1.09Polar Surface Area:
67.07HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4565569
Name:
4-(2,3-Dichlorophenyl)-1H-benzo[d]imidazol-2-amineMol. Formula:
C13H9Cl2N3M.W.:
278.14Type:
UnknownAlogP:
4.12Polar Surface Area:
54.70HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4561244
Name:
7-(3-fluoropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-amineMol. Formula:
C11H8FN5M.W.:
229.22Type:
UnknownAlogP:
1.74Polar Surface Area:
80.48HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4547418
Name:
4-((4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiazol-2-yl)methyl)morpholineMol. Formula:
C15H16N4OSM.W.:
300.39Type:
UnknownAlogP:
2.52Polar Surface Area:
54.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA4541864
Name:
4-(3-fluoropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridineMol. Formula:
C12H8FN3M.W.:
213.22Type:
UnknownAlogP:
2.76Polar Surface Area:
41.57HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.67DETAILS - ALA4540488
Name:
N-(4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl)acetamideMol. Formula:
C13H12Cl2N4OM.W.:
311.17Type:
UnknownAlogP:
3.45Polar Surface Area:
66.91HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4537820
Name:
(S)-N4-methyl-6-(1-phenylethoxy)pyrimidine-2,4-diamineMol. Formula:
C13H16N4OM.W.:
244.30Type:
UnknownAlogP:
2.24Polar Surface Area:
73.06HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS
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