ALA2417891Name:
3-benzyl-5-phenylpyrazin-2(1H)-oneCas Number:
1452586-82-1Mol. Formula:
C17H14N2OM.W.:
262.31Type:
Small moleculeAlogP:
3.03Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
Small moleculeAlogP:
3.50Polar Surface Area:
82.80HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
74.01HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
3.76Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
6.04Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS-
Type:
Small moleculeAlogP:
5.82Polar Surface Area:
76.68HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
5.35Polar Surface Area:
78.45HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
76.68HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
6.43Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.42Polar Surface Area:
76.68HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
4.42Polar Surface Area:
58.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
5.02Polar Surface Area:
82.80HBA:
4HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
5.36Polar Surface Area:
74.01HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.33Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
4.92Polar Surface Area:
76.24HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
5.26Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
67.01HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.88Polar Surface Area:
58.22HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS
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