Type:
Small moleculeAlogP:
1.28Polar Surface Area:
84.44HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
75.21HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA2338800Name:
6-(4-fluorophenethyl)-4-hydroxypyridazin-3(2H)-oneMol. Formula:
C12H11FN2O2M.W.:
234.23Type:
Small moleculeAlogP:
1.40Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS-
Type:
Small moleculeAlogP:
1.27Polar Surface Area:
75.21HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2338797
Name:
6-(3-fluorophenethyl)-4-hydroxypyridazin-3(2H)-oneMol. Formula:
C12H11FN2O2M.W.:
234.23Type:
Small moleculeAlogP:
1.40Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2338795
Name:
6-(2-fluorophenethyl)-4-hydroxypyridazin-3(2H)-oneMol. Formula:
C12H11FN2O2M.W.:
234.23Type:
Small moleculeAlogP:
1.40Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2338794
Name:
4-hydroxy-6-(phenoxymethyl)pyridazin-3(2H)-oneMol. Formula:
C11H10N2O3M.W.:
218.21Type:
Small moleculeAlogP:
1.05Polar Surface Area:
75.21HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2338793
Name:
6-(3,3-dimethylbutyl)-4-hydroxypyridazin-3(2H)-oneMol. Formula:
C10H16N2O2M.W.:
196.25Type:
Small moleculeAlogP:
1.45Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
1.52Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2338790
Name:
6-(4-chlorophenethyl)-4-hydroxypyridazin-3(2H)-oneMol. Formula:
C12H11ClN2O2M.W.:
250.69Type:
Small moleculeAlogP:
1.91Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2338789
Name:
6-(2-cyclohexylethyl)-4-hydroxypyridazin-3(2H)-oneMol. Formula:
C12H18N2O2M.W.:
222.29Type:
Small moleculeAlogP:
1.99Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2338788
Name:
4-hydroxy-6-(3-phenylpropyl)pyridazin-3(2H)-oneMol. Formula:
C13H14N2O2M.W.:
230.27Type:
Small moleculeAlogP:
1.65Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2338787
Name:
4-hydroxy-6-(1-phenylethyl)pyridazin-3(2H)-oneMol. Formula:
C12H12N2O2M.W.:
216.24Type:
Small moleculeAlogP:
1.63Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
1.26Polar Surface Area:
65.98HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA468497
Name:
3-Hydroxy-4-methylquinolin-2(1H)-oneCas Number:
24186-98-9Mol. Formula:
C10H9NO2M.W.:
175.19Type:
Small moleculeAlogP:
1.54Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.64DETAILS
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