ALA5284520Name:
2-(4-fluorophenyl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetonitrileMol. Formula:
C14H8F4N2M.W.:
280.22Type:
---AlogP:
3.89Polar Surface Area:
36.68HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
45.92HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
3.81Polar Surface Area:
3.24HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS-
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
93.23HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
2.56Polar Surface Area:
50.59HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
2.60Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
Small moleculeAlogP:
3.72Polar Surface Area:
51.75HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
3.24HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
56.03HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
43.37HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
141.86HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.13Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
78.39HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
23.55HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS
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