- ALA2289349
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(trifluoromethyl)benzoic acidMol. Formula:
C14H11F3N2O5M.W.:
344.25Type:
Small moleculeAlogP:
3.00Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA2289347
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-ethylbenzoic acidMol. Formula:
C15H16N2O5M.W.:
304.30Type:
Small moleculeAlogP:
2.55Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2289346
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-methylbenzoic acidMol. Formula:
C14H14N2O5M.W.:
290.28Type:
Small moleculeAlogP:
2.29Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA2289345
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-iodobenzoic acidMol. Formula:
C13H11IN2O5M.W.:
402.14Type:
Small moleculeAlogP:
2.59Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2289344
Name:
2-bromo-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acidMol. Formula:
C13H11BrN2O5M.W.:
355.14Type:
Small moleculeAlogP:
2.75Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2289343
Name:
2-chloro-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acidMol. Formula:
C13H11ClN2O5M.W.:
310.69Type:
Small moleculeAlogP:
2.64Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2289342
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-fluorobenzoic acidMol. Formula:
C13H11FN2O5M.W.:
294.24Type:
Small moleculeAlogP:
2.12Polar Surface Area:
90.77HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA2289326
Name:
2-(4,6-dimethoxypyrimidin-2-ylthio)-6-(methylthio)benzoic acidMol. Formula:
C14H14N2O4S2M.W.:
338.41Type:
Small moleculeAlogP:
3.07Polar Surface Area:
81.54HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2289315
Name:
2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)methyl)benzoic acidMol. Formula:
C14H13ClN2O4M.W.:
308.72Type:
Small moleculeAlogP:
2.44Polar Surface Area:
81.54HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA2289314
Name:
2-chloro-6-(4,6-dimethoxypyrimidin-2-ylsulfinyl)benzoic acidMol. Formula:
C13H11ClN2O5SM.W.:
342.76Type:
Small moleculeAlogP:
2.01Polar Surface Area:
104.60HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2289313
Name:
2-chloro-6-(4,6-dimethoxypyrimidin-2-ylamino)benzoic acidMol. Formula:
C13H12ClN3O4M.W.:
309.71Type:
Small moleculeAlogP:
2.59Polar Surface Area:
93.57HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2289310
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-nitrobenzoic acidMol. Formula:
C13H11N3O7M.W.:
321.25Type:
Small moleculeAlogP:
1.89Polar Surface Area:
133.91HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA2289307
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(methylthio)benzoic acidMol. Formula:
C14H14N2O5SM.W.:
322.34Type:
Small moleculeAlogP:
2.71Polar Surface Area:
90.77HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2289305
Name:
2-(difluoromethoxy)-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acidMol. Formula:
C14H12F2N2O6M.W.:
342.25Type:
Small moleculeAlogP:
2.59Polar Surface Area:
100.00HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2289301
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-ethoxybenzoic acidMol. Formula:
C15H16N2O6M.W.:
320.30Type:
Small moleculeAlogP:
2.38Polar Surface Area:
100.00HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA2289300
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-methoxybenzoic acidMol. Formula:
C14H14N2O6M.W.:
306.27Type:
Small moleculeAlogP:
1.99Polar Surface Area:
100.00HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2289062
Name:
2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(methoxycarbonyl)benzoic acidMol. Formula:
C15H14N2O7M.W.:
334.28Type:
Small moleculeAlogP:
1.77Polar Surface Area:
117.07HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.79DETAILS Type:
Small moleculeAlogP:
2.91Polar Surface Area:
41.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILSType:
Small moleculeAlogP:
2.60Polar Surface Area:
41.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS- ALA2229985
Name:
5-methyl-3-((2-nitrophenyl)disulfanyl)-1H-1,2,4-triazoleMol. Formula:
C9H8N4O2S2M.W.:
268.32Type:
Small moleculeAlogP:
2.82Polar Surface Area:
84.71HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS