Type:
---AlogP:
3.08Polar Surface Area:
77.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
---AlogP:
2.61Polar Surface Area:
25.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.49DETAILS
Type:
UnknownAlogP:
3.04Polar Surface Area:
81.00HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA4592775Name:
N-((5-(benzyloxy)-4-oxo-4H-pyran-2-yl)methyl)benzamideMol. Formula:
C13H11NO4M.W.:
245.23Type:
UnknownAlogP:
1.28Polar Surface Area:
79.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS
ALA4591461Name:
5-Hydroxy-2-methyl-1-(4-phenoxyphenyl)pyridin-4(1H)-oneMol. Formula:
C18H15NO3M.W.:
293.32Type:
UnknownAlogP:
3.64Polar Surface Area:
51.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS-
Type:
UnknownAlogP:
1.45Polar Surface Area:
127.69HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4590431
Name:
N-((5-(benzyloxy)-4-oxo-4H-pyran-2-yl)methyl)benzenesulfonamideMol. Formula:
C12H11NO5SM.W.:
281.29Type:
UnknownAlogP:
0.82Polar Surface Area:
96.61HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
UnknownAlogP:
2.44Polar Surface Area:
39.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.95DETAILS -
Type:
UnknownAlogP:
0.55Polar Surface Area:
109.07HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4589638
Name:
Ethyl 5-hydroxy-2-methyl-4-oxo-1-phenyl-1,4-dihydropyridine-3-carboxylateMol. Formula:
C15H15NO4M.W.:
273.29Type:
UnknownAlogP:
2.03Polar Surface Area:
68.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
UnknownAlogP:
2.46Polar Surface Area:
90.39HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4588236
Name:
5-Hydroxy-2-methyl-4-oxo-1-phenyl-1,4-dihydropyridine-3-carboxylic acidMol. Formula:
C13H11NO4M.W.:
245.23Type:
UnknownAlogP:
1.55Polar Surface Area:
79.53HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA4587575
Name:
N-(4-fluorophenethyl)-5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxamideMol. Formula:
C15H14FNO4M.W.:
291.28Type:
UnknownAlogP:
1.77Polar Surface Area:
79.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
0.94Polar Surface Area:
109.07HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
1.85Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
1.44Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.69DETAILS - ALA4583580
Name:
5-Hydroxy-2-methyl-1-(1-methylpiperidin-4-yl)pyridin-4(1H)-oneMol. Formula:
C12H18N2O2M.W.:
222.29Type:
UnknownAlogP:
1.13Polar Surface Area:
45.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4581519
Name:
Methyl 3-(5-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)benzoateMol. Formula:
C14H13NO4M.W.:
259.26Type:
UnknownAlogP:
1.64Polar Surface Area:
68.53HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4581354
Name:
5-Hydroxy-2-(((4-methoxyphenyl)(methyl)amino)methyl)-4H-pyran-4-oneMol. Formula:
C14H15NO4M.W.:
261.28Type:
UnknownAlogP:
1.99Polar Surface Area:
62.91HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4580238
Name:
5-Hydroxy-2-(piperidin-1-ylmethyl)-4H-pyran-4-oneMol. Formula:
C11H15NO3M.W.:
209.24Type:
UnknownAlogP:
1.33Polar Surface Area:
53.68HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
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