ALA5208969Name:
3-(piperidin-1-yl)picolinonitrileCas Number:
780802-33-7Mol. Formula:
C11H13N3M.W.:
187.25Type:
---AlogP:
1.94Polar Surface Area:
39.92HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.67DETAILS
Type:
---AlogP:
3.81Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
---AlogP:
3.62Polar Surface Area:
34.89HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
---AlogP:
3.33Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
---AlogP:
3.99Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS-
Type:
---AlogP:
4.21Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
3.82Polar Surface Area:
43.10HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
1.46Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS -
Type:
---AlogP:
2.86Polar Surface Area:
50.36HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.88DETAILS -
Type:
---AlogP:
3.85Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA5196748
Name:
5-chloro-2-(3-methylphenyl)quinazolin-4(3H)-oneMol. Formula:
C15H11ClN2OM.W.:
270.72Type:
---AlogP:
3.55Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
3.81Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.50Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
3.50Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
---AlogP:
3.33Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.81Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.81Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
---AlogP:
3.81Polar Surface Area:
41.13HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA5185745
Name:
(3-aminophenyl)(phenyl)methanoneCas Number:
2835-78-1Mol. Formula:
C13H11NOM.W.:
197.24Type:
---AlogP:
2.50Polar Surface Area:
43.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.59DETAILS -
Type:
---AlogP:
3.03Polar Surface Area:
70.16HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS
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