2-((4，6-Dimethoxypyrimidin-2-yl)oxy)benzoic acidName:
2-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acidMol. Formula:
C13H12N2O5M.W.:
276.25Type:
Small moleculeAlogP:
1.98Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA2289325Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-isopropoxybenzoic acidMol. Formula:
C16H18N2O5SM.W.:
350.40Type:
Small moleculeAlogP:
3.13Polar Surface Area:
90.77HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA2289324Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-propoxybenzoic acidMol. Formula:
C16H18N2O5SM.W.:
350.40Type:
Small moleculeAlogP:
3.13Polar Surface Area:
90.77HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA2289323Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-ethoxybenzoic acidMol. Formula:
C15H16N2O5SM.W.:
336.37Type:
Small moleculeAlogP:
2.74Polar Surface Area:
90.77HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA2289322Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-methoxybenzoic acidMol. Formula:
C14H14N2O5SM.W.:
322.34Type:
Small moleculeAlogP:
2.35Polar Surface Area:
90.77HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS- ALA2289321
Name:
2-acetyl-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acidMol. Formula:
C15H14N2O5SM.W.:
334.35Type:
Small moleculeAlogP:
2.55Polar Surface Area:
98.61HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2289320
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-(trifluoromethyl)benzoic acidMol. Formula:
C14H11F3N2O4SM.W.:
360.31Type:
Small moleculeAlogP:
3.36Polar Surface Area:
81.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2289319
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-methylbenzoic acidMol. Formula:
C14H14N2O4SM.W.:
306.34Type:
Small moleculeAlogP:
2.65Polar Surface Area:
81.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2289318
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-iodobenzoic acidMol. Formula:
C13H11IN2O4SM.W.:
418.21Type:
Small moleculeAlogP:
2.95Polar Surface Area:
81.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2289317
Name:
2-bromo-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acidMol. Formula:
C13H11BrN2O4SM.W.:
371.21Type:
Small moleculeAlogP:
3.11Polar Surface Area:
81.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2289316
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-fluorobenzoic acidMol. Formula:
C13H11FN2O4SM.W.:
310.31Type:
Small moleculeAlogP:
2.48Polar Surface Area:
81.54HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2289060
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-nitrobenzoic acidMol. Formula:
C13H11N3O6SM.W.:
337.31Type:
Small moleculeAlogP:
2.25Polar Surface Area:
124.68HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2289059
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-(ethylthio)benzoic acidMol. Formula:
C15H16N2O4S2M.W.:
352.44Type:
Small moleculeAlogP:
3.46Polar Surface Area:
81.54HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
2.33Polar Surface Area:
152.71HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.29Polar Surface Area:
152.71HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
1.53Polar Surface Area:
134.25HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.32Polar Surface Area:
83.98HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
-0.21Polar Surface Area:
121.13HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
0.81Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS
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