Type:
UnknownAlogP:
9.88Polar Surface Area:
88.96HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
---AlogP:
3.81Polar Surface Area:
74.49HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
---AlogP:
4.75Polar Surface Area:
48.71HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
---AlogP:
3.25Polar Surface Area:
81.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
---AlogP:
3.76Polar Surface Area:
61.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS-
Type:
---AlogP:
5.29Polar Surface Area:
48.71HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
-0.19Polar Surface Area:
140.47HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
---AlogP:
2.47Polar Surface Area:
80.31HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
---AlogP:
5.63Polar Surface Area:
48.71HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
2.04Polar Surface Area:
106.33HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
---AlogP:
4.07Polar Surface Area:
61.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA5279889
Name:
2-(3,5-dimethylphenoxy)-5-phenylnicotinonitrileMol. Formula:
C20H16N2OM.W.:
300.36Type:
---AlogP:
5.03Polar Surface Area:
45.91HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
2.59Polar Surface Area:
75.27HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
3.94Polar Surface Area:
87.90HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
---AlogP:
0.40Polar Surface Area:
123.40HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
4.38Polar Surface Area:
61.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
---AlogP:
2.83Polar Surface Area:
63.24HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
---AlogP:
4.83Polar Surface Area:
36.68HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
---AlogP:
4.25Polar Surface Area:
79.15HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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