Type:
Small moleculeAlogP:
-1.44Polar Surface Area:
93.81HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
0.86Polar Surface Area:
93.81HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
-0.46Polar Surface Area:
73.58HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
-0.12Polar Surface Area:
122.34HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
-1.23Polar Surface Area:
126.89HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS-
Type:
Small moleculeAlogP:
-1.60Polar Surface Area:
103.04HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
-0.03Polar Surface Area:
103.04HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
-1.21Polar Surface Area:
103.04HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-0.13Polar Surface Area:
105.84HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3087497
Name:
5-((2-hydroxyethylamino)methyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C7H11N3O3M.W.:
185.18Type:
Small moleculeAlogP:
-1.85Polar Surface Area:
97.98HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA3087496
Name:
6-hydroxy-4-methyl-5-(morpholinomethyl)-1H-pyridin-2-one-3-carbonitrileMol. Formula:
C12H15N3O3M.W.:
249.27Type:
Small moleculeAlogP:
0.09Polar Surface Area:
89.35HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA3087495
Name:
6-hydroxy-4-methyl-5-(piperidin-1-ylmethyl)-1H-pyridin-2-one-3-carbonitrileMol. Formula:
C13H17N3O2M.W.:
247.30Type:
Small moleculeAlogP:
1.25Polar Surface Area:
80.12HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3087494
Name:
5-((diethylamino)methyl)-6-hydroxy-4-methyl-1H-pyridin-2-one-3-carbonitrileMol. Formula:
C12H17N3O2M.W.:
235.29Type:
Small moleculeAlogP:
1.10Polar Surface Area:
80.12HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
0.32Polar Surface Area:
80.12HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
-1.30Polar Surface Area:
129.37HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
-1.30Polar Surface Area:
129.37HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - 2,6-Dihydroxy-3,4-dimethylpyridine
Name:
6-hydroxy-3,4-dimethylpyridin-2(1H)-oneMol. Formula:
C7H9NO2M.W.:
139.15Type:
Small moleculeAlogP:
0.70Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
0.39Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.53DETAILS - ALA3086518
Name:
5-benzyl-6-hydroxy-4-methyl-1H-pyridin-2-one-3-carbonitrileMol. Formula:
C14H12N2O2M.W.:
240.26Type:
Small moleculeAlogP:
1.85Polar Surface Area:
76.88HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA3086517
Name:
6-hydroxy-4-methyl-5-phenyl-1H-pyridin-2-one-3-carbonitrileMol. Formula:
C13H10N2O2M.W.:
226.24Type:
Small moleculeAlogP:
1.93Polar Surface Area:
76.88HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS
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