Type:
UnknownAlogP:
4.53Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
UnknownAlogP:
4.22Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA4536790Name:
7-(pyridin-2-yl)-1-(pyrrolidin-1-yl)heptan-1-oneMol. Formula:
C16H24N2OM.W.:
260.38Type:
UnknownAlogP:
3.20Polar Surface Area:
33.20HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
UnknownAlogP:
4.05Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
UnknownAlogP:
4.56Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS- ALA4552819
Name:
4-(7-oxo-7-(pyrrolidin-1-yl)heptyl)benzoic acidMol. Formula:
C18H25NO3M.W.:
303.40Type:
UnknownAlogP:
3.50Polar Surface Area:
57.61HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
4.22Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
3.81Polar Surface Area:
29.54HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
3.30Polar Surface Area:
33.20HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA4578471
Name:
7-(4-fluorophenyl)-1-(pyrrolidin-1-yl)heptan-1-oneMol. Formula:
C17H24FNOM.W.:
277.38Type:
UnknownAlogP:
3.94Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.51Polar Surface Area:
40.54HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4588744
Name:
7-(3-chlorophenyl)-1-(pyrrolidin-1-yl)heptan-1-oneMol. Formula:
C17H24ClNOM.W.:
293.84Type:
UnknownAlogP:
4.46Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4587391
Name:
7-(pyridin-3-yl)-1-(pyrrolidin-1-yl)heptan-1-oneMol. Formula:
C16H24N2OM.W.:
260.38Type:
UnknownAlogP:
3.20Polar Surface Area:
33.20HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4582430
Name:
1-(pyrrolidin-1-yl)-7-(thiophen-3-yl)heptan-1-oneMol. Formula:
C15H23NOSM.W.:
265.42Type:
UnknownAlogP:
3.86Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.97Polar Surface Area:
20.31HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4462559
Name:
7-(3-propylphenyl)-1-(pyrrolidin-1-yl)heptan-1-oneMol. Formula:
C20H31NOM.W.:
301.47Type:
UnknownAlogP:
4.75Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.95Polar Surface Area:
29.54HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
UnknownAlogP:
4.11Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
4.05Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4467865
Name:
3-(7-oxo-7-(pyrrolidin-1-yl)heptyl)benzoic acidMol. Formula:
C18H25NO3M.W.:
303.40Type:
UnknownAlogP:
3.50Polar Surface Area:
57.61HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.75DETAILS
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