ALA124530Name:
5-(3-sec-Butoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C18H24N2O5M.W.:
348.40Type:
Small moleculeAlogP:
1.27Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA125973Name:
5-(3-Fluoro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C14H15FN2O4M.W.:
294.28Type:
Small moleculeAlogP:
0.23Polar Surface Area:
84.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA123742Name:
5-(3-Chloro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C14H15ClN2O4M.W.:
310.74Type:
Small moleculeAlogP:
0.75Polar Surface Area:
84.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA123683Name:
1-(2-Hydroxy-ethoxymethyl)-5-(3-methoxy-benzyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C15H18N2O5M.W.:
306.32Type:
Small moleculeAlogP:
0.10Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.71DETAILS- ALA127250
Name:
5-(3-Ethoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C16H20N2O5M.W.:
320.35Type:
Small moleculeAlogP:
0.49Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
0.24Polar Surface Area:
113.78HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA127568
Name:
5-(3-Allyloxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C17H20N2O5M.W.:
332.36Type:
Small moleculeAlogP:
0.66Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA419788
Name:
1-(2-Hydroxy-ethoxymethyl)-5-(3-isopropoxy-benzyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C17H22N2O5M.W.:
334.37Type:
Small moleculeAlogP:
0.88Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
75.47HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA127070
Name:
5-(3,4-Difluoro-benzyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C11H8F2N2O2M.W.:
238.19Type:
Small moleculeAlogP:
1.76Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA340623
Name:
5-(3,5-Difluoro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C14H14F2N2O4M.W.:
312.27Type:
Small moleculeAlogP:
0.37Polar Surface Area:
84.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA128039
Name:
5-(2-Fluoro-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C14H15FN2O4M.W.:
294.28Type:
Small moleculeAlogP:
0.23Polar Surface Area:
84.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA339510
Name:
5-(3,5-Difluoro-benzyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C11H8F2N2O2M.W.:
238.19Type:
Small moleculeAlogP:
1.76Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA338994
Name:
5-(3,4-Dichloro-benzyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C11H8Cl2N2O2M.W.:
271.10Type:
Small moleculeAlogP:
2.79Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
0.19Polar Surface Area:
113.78HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA123971
Name:
5-(3-Butoxy-benzyl)-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneMol. Formula:
C18H24N2O5M.W.:
348.40Type:
Small moleculeAlogP:
1.27Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
0.11Polar Surface Area:
104.55HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
2.13Polar Surface Area:
66.24HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS
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