Type:
---AlogP:
3.59Polar Surface Area:
67.79HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA5197085Name:
1-(1-piperidyl)-2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]ethanoneMol. Formula:
C21H21N3O3M.W.:
363.42Type:
---AlogP:
3.81Polar Surface Area:
64.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA5196338Name:
4-[[2-oxo-1-[2-(1-piperidyl)ethyl]-6-quinolyl]oxy]benzonitrileMol. Formula:
C23H23N3O2M.W.:
373.46Type:
---AlogP:
4.15Polar Surface Area:
58.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
---AlogP:
2.78Polar Surface Area:
93.65HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA5202508Name:
4-[[2-[2-(1-piperidyl)ethoxy]-6-quinolyl]oxy]benzonitrileMol. Formula:
C23H23N3O2M.W.:
373.46Type:
---AlogP:
4.76Polar Surface Area:
58.38HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS- ALA5208962
Name:
4-[[2-(2-oxo-2-piperazin-1-yl-ethoxy)-6-quinolyl]oxy]benzonitrileMol. Formula:
C22H20N4O3M.W.:
388.43Type:
---AlogP:
2.71Polar Surface Area:
87.48HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA5195306
Name:
4-[2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]acetyl]piperazin-2-oneMol. Formula:
C20H18N4O4M.W.:
378.39Type:
---AlogP:
1.76Polar Surface Area:
93.65HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5194991
Name:
4-[[2-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]-6-quinolyl]oxy]benzonitrileMol. Formula:
C22H18N4O4M.W.:
402.41Type:
---AlogP:
2.24Polar Surface Area:
104.55HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA5194066
Name:
4-[[2-[2-oxo-2-(1-piperidyl)ethoxy]-6-quinolyl]oxy]benzonitrileMol. Formula:
C23H21N3O3M.W.:
387.44Type:
---AlogP:
4.29Polar Surface Area:
75.45HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5186539
Name:
2-[[2-[[6-(4-cyanophenoxy)-2-quinolyl]oxy]acetyl]amino]acetamideMol. Formula:
C20H16N4O4M.W.:
376.37Type:
---AlogP:
1.88Polar Surface Area:
127.33HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5186480
Name:
1-(4-methylpiperazin-1-yl)-2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]ethanoneMol. Formula:
C21H22N4O3M.W.:
378.43Type:
---AlogP:
2.57Polar Surface Area:
67.79HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA5182301
Name:
4-[2-oxo-1-[2-(1-piperidyl)ethyl]-6-quinolyl]benzonitrileMol. Formula:
C23H23N3OM.W.:
357.46Type:
---AlogP:
4.03Polar Surface Area:
49.03HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
4.83Polar Surface Area:
64.55HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5179783
Name:
1-piperazin-1-yl-2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]ethanoneMol. Formula:
C20H20N4O3M.W.:
364.41Type:
---AlogP:
2.23Polar Surface Area:
76.58HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
---AlogP:
-5.31Polar Surface Area:
187.75HBA:
9HBD:
9#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA5178152
Name:
4-[[2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]-6-quinolyl]oxy]benzonitrileMol. Formula:
C23H22N4O3M.W.:
402.45Type:
---AlogP:
3.05Polar Surface Area:
78.69HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA5177918
Name:
4-[2-oxo-1-[2-oxo-2-(1-piperidyl)ethyl]-6-quinolyl]benzonitrileMol. Formula:
C23H21N3O2M.W.:
371.44Type:
---AlogP:
3.55Polar Surface Area:
66.10HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5174656
Name:
2-[[2-[[6-(2-pyridyloxy)-2-quinolyl]oxy]acetyl]amino]acetamideMol. Formula:
C18H16N4O4M.W.:
352.35Type:
---AlogP:
1.40Polar Surface Area:
116.43HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
3.25Polar Surface Area:
76.58HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5173050
Name:
4-[[2-(2-morpholino-2-oxo-ethoxy)-6-quinolyl]oxy]benzonitrileMol. Formula:
C22H19N3O4M.W.:
389.41Type:
---AlogP:
3.14Polar Surface Area:
84.68HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
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