Type:
UnknownAlogP:
4.06Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
UnknownAlogP:
0.98Polar Surface Area:
63.24HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4549418Name:
3-oxo-N-phenylpentanamideCas Number:
16682-97-6Mol. Formula:
C11H13NO2M.W.:
191.23Type:
UnknownAlogP:
1.99Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
UnknownAlogP:
1.52Polar Surface Area:
55.40HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
---AlogP:
2.43Polar Surface Area:
93.73HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.41DETAILS-
Type:
---AlogP:
3.33Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
4.73Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
2.57Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
3.73Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
2.84Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.64DETAILS -
Type:
---AlogP:
3.08Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
3.19Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
-0.41Polar Surface Area:
96.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
5.92Polar Surface Area:
98.54HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
UnknownAlogP:
3.55Polar Surface Area:
66.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
4.15Polar Surface Area:
63.24HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
2.00Polar Surface Area:
55.40HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
3.08Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
3.19Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
2.43Polar Surface Area:
84.50HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.45DETAILS
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