ALA5270862Name:
Cyclopropyl-[4-(5-hydroxy-2-pyridyl)piperazin-1-yl]methanoneMol. Formula:
C13H17N3O2M.W.:
247.30Type:
---AlogP:
0.85Polar Surface Area:
56.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
---AlogP:
3.30Polar Surface Area:
257.81HBA:
14HBD:
5#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.07DETAILS
Type:
---AlogP:
0.20Polar Surface Area:
48.39HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA5281237Name:
6-[4-(Cyclopropylmethyl)piperazin-1-yl]pyridin-3-olMol. Formula:
C13H19N3OM.W.:
233.31Type:
---AlogP:
1.32Polar Surface Area:
39.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA5278807Name:
1-[4-(5-hydroxy-2-pyridyl)piperazin-1-yl]ethanoneMol. Formula:
C11H15N3O2M.W.:
221.26Type:
---AlogP:
0.46Polar Surface Area:
56.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA5277883
Name:
1-[4-(5-Fluoro-pyridin-2-yl)-piperazin-1-yl]-3-phenyl-propan-1-oneMol. Formula:
C18H20FN3OM.W.:
313.38Type:
---AlogP:
2.50Polar Surface Area:
36.44HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA5273212
Name:
1-[4-(5-Methoxy-pyridin-2-yl)-piperazin-1-yl]-3-phenyl-propan-1-oneMol. Formula:
C19H23N3O2M.W.:
325.41Type:
---AlogP:
2.37Polar Surface Area:
45.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
---AlogP:
1.57Polar Surface Area:
39.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
2.05Polar Surface Area:
89.02HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
3.65Polar Surface Area:
98.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
4.36Polar Surface Area:
109.23HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
1.04Polar Surface Area:
247.63HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
3.39Polar Surface Area:
94.70HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
UnknownAlogP:
4.36Polar Surface Area:
118.46HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
1.04Polar Surface Area:
247.63HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
UnknownAlogP:
-0.33Polar Surface Area:
267.86HBA:
9HBD:
9#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
UnknownAlogP:
4.36Polar Surface Area:
109.23HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS
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