Type:
Small moleculeAlogP:
2.50Polar Surface Area:
135.68HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA4245637Name:
3,4-dimethyl-1-phenyl-1H-pyrazol-5(4H)-oneCas Number:
17900-68-4Mol. Formula:
C11H12N2OM.W.:
188.23Type:
Small moleculeAlogP:
2.05Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
79.88HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA4241417Name:
3-tert-butyl-1-phenyl-1H-pyrazol-5(4H)-oneCas Number:
6631-89-6Mol. Formula:
C13H16N2OM.W.:
216.28Type:
Small moleculeAlogP:
2.83Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
1.11Polar Surface Area:
115.63HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS-
Type:
Small moleculeAlogP:
5.27Polar Surface Area:
47.94HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.59Polar Surface Area:
63.82HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
50.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS
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