Type:
---AlogP:
9.25Polar Surface Area:
112.06HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
4.19Polar Surface Area:
229.21HBA:
9HBD:
8#RO5 Violations:
2#Rotatable Bonds:
32Passes Ro3:
NQED Weighted:
0.04DETAILS
Type:
---AlogP:
-2.16Polar Surface Area:
237.06HBA:
11HBD:
5#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.16DETAILS
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:
3.80Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
6.03Polar Surface Area:
104.81HBA:
6HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
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 - 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol
Name:
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanolMol. Formula:
C12H17N3O3M.W.:
251.29Type:
UnknownAlogP:
0.71Polar Surface Area:
69.85HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
6.83Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA4649274
Name:
N-(2,3-dichlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamideMol. Formula:
C24H18Cl2N2O3M.W.:
453.33Type:
UnknownAlogP:
6.48Polar Surface Area:
60.45HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4649214
Name:
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamideMol. Formula:
C20H25N3OM.W.:
323.44Type:
UnknownAlogP:
3.31Polar Surface Area:
35.58HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4649176
Name:
2-(3,4-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)quinoline-4-carboxamideMol. Formula:
C24H18FN3O5M.W.:
447.42Type:
UnknownAlogP:
5.22Polar Surface Area:
103.59HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4648950
Name:
2-(1-Benzofuran-2-yl)-N-(4-phenoxyphenyl)quinoline-4-carboxamideMol. Formula:
C30H20N2O3M.W.:
456.50Type:
UnknownAlogP:
7.69Polar Surface Area:
64.36HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
4.73Polar Surface Area:
80.68HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
6.99Polar Surface Area:
86.75HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA4648139
Name:
2-(1-Benzofuran-2-yl)-N-(3,4-dichlorophenyl)quinoline-4-carboxamideMol. Formula:
C24H14Cl2N2O2M.W.:
433.29Type:
UnknownAlogP:
7.21Polar Surface Area:
55.13HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS
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