ALA5270442Name:
N6-ethyl-N2-(4-(2-ethylidenehydrazinyl)phenyl)-9H-purine-2,6-diamineMol. Formula:
C15H18N8M.W.:
310.37Type:
---AlogP:
2.95Polar Surface Area:
102.91HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA5268541Name:
tert-butyl 4-(6-(cyclopropylamino)-9H-purin-2-ylamino)phenylcarbamateMol. Formula:
C19H23N7O2M.W.:
381.44Type:
---AlogP:
4.02Polar Surface Area:
116.85HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA5273296Name:
4-(6-(isopropylamino)-9H-purin-2-ylamino)-N,N-dimethylbenzenesulfonamideMol. Formula:
C16H21N7O2SM.W.:
375.46Type:
---AlogP:
2.17Polar Surface Area:
115.90HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA5285207Name:
N6-cyclopropyl-N2-(4-(4-methylpiperazin-1-yl)phenyl)-9H-purine-2,6-diamineMol. Formula:
C19H24N8M.W.:
364.46Type:
---AlogP:
2.42Polar Surface Area:
85.00HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA5283028Name:
2-(4-(6-(tert-butylamino)-9H-purin-2-ylamino)phenyl)acetic acidMol. Formula:
C17H20N6O2M.W.:
340.39Type:
---AlogP:
2.93Polar Surface Area:
115.82HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS-
Type:
UnknownAlogP:
1.78Polar Surface Area:
105.27HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
3.48Polar Surface Area:
124.91HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
1.65Polar Surface Area:
123.81HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
2.06Polar Surface Area:
97.00HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
2.44Polar Surface Area:
105.27HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
2.24Polar Surface Area:
105.79HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
2.08Polar Surface Area:
117.82HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
2.78Polar Surface Area:
120.73HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
1.71Polar Surface Area:
105.79HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
1.18Polar Surface Area:
149.83HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
1.09Polar Surface Area:
140.08HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4785298
Name:
6-(1H-indazol-6-yl)-N-(4-morpholinophenyl)-1H-imidazo[4,5-c]pyridin-4-amineMol. Formula:
C23H21N7OM.W.:
411.47Type:
UnknownAlogP:
4.08Polar Surface Area:
94.75HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4785181
Name:
2-(1H-indazol-6-yl)-N-(4-morpholinophenyl)-9H-purin-6-amineMol. Formula:
C22H20N8OM.W.:
412.46Type:
UnknownAlogP:
3.48Polar Surface Area:
107.64HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
1.46Polar Surface Area:
125.50HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.48Polar Surface Area:
107.64HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS
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