ALA5270769Name:
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]isoxazole-5-carboxamideMol. Formula:
C16H20N4O2M.W.:
300.36Type:
---AlogP:
1.36Polar Surface Area:
61.61HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
0.70Polar Surface Area:
377.42HBA:
22HBD:
13#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.06DETAILS
Type:
---AlogP:
-1.73Polar Surface Area:
140.31HBA:
7HBD:
6#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
---AlogP:
5.23Polar Surface Area:
98.82HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
4.05Polar Surface Area:
98.82HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
---AlogP:
4.44Polar Surface Area:
98.82HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
4.44Polar Surface Area:
98.82HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
1.82Polar Surface Area:
149.62HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
UnknownAlogP:
2.32Polar Surface Area:
129.39HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
1.55Polar Surface Area:
138.62HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
0.88Polar Surface Area:
140.39HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
0.89Polar Surface Area:
149.62HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
1.09Polar Surface Area:
149.62HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
UnknownAlogP:
1.28Polar Surface Area:
149.62HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
UnknownAlogP:
1.94Polar Surface Area:
138.62HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
1.93Polar Surface Area:
129.39HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
1.28Polar Surface Area:
149.62HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
1.04Polar Surface Area:
149.62HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.31DETAILS
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