ALA5282306Name:
2-((5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acidMol. Formula:
C10H8N4O4SM.W.:
280.27Type:
---AlogP:
1.56Polar Surface Area:
122.01HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS
ALA5280134Name:
2-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acidMol. Formula:
C11H10ClN3O2SM.W.:
283.74Type:
---AlogP:
2.69Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA5273439Name:
2-((5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acidMol. Formula:
C10H8ClN3O2SM.W.:
269.71Type:
---AlogP:
2.30Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA5284678Name:
2-((5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acidMol. Formula:
C11H10ClN3O2SM.W.:
283.74Type:
---AlogP:
2.69Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA5272184Name:
2-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acidMol. Formula:
C10H8ClN3O2SM.W.:
269.71Type:
---AlogP:
2.30Polar Surface Area:
78.87HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS- ALA4582134
Name:
6-((dipropylamino)methyl)-5-iodopyrimidine-2,4(1H,3H)-dioneMol. Formula:
C11H18IN3O2M.W.:
351.19Type:
UnknownAlogP:
1.29Polar Surface Area:
68.96HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
UnknownAlogP:
-1.73Polar Surface Area:
118.21HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4579033
Name:
5-iodo-6-(morpholinomethyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C9H12IN3O3M.W.:
337.12Type:
UnknownAlogP:
-0.50Polar Surface Area:
78.19HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4542724
Name:
5-iodo-6-((piperidin-1-ylamino)methyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C11H16IN3O2M.W.:
349.17Type:
UnknownAlogP:
1.09Polar Surface Area:
77.75HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4527207
Name:
5-iodo-6-(piperidin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C10H14IN3O2M.W.:
335.15Type:
UnknownAlogP:
0.65Polar Surface Area:
68.96HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4472112
Name:
6-(((2,3-dihydroxypropyl)amino)methyl)-5-iodopyrimidine-2,4(1H,3H)-dioneMol. Formula:
C8H12IN3O4M.W.:
341.11Type:
UnknownAlogP:
-1.89Polar Surface Area:
118.21HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
-1.84Polar Surface Area:
118.21HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4468378
Name:
6-(((2-hydroxyethyl)amino)methyl)-5-iodopyrimidine-2,4(1H,3H)-dioneMol. Formula:
C7H10IN3O3M.W.:
311.08Type:
UnknownAlogP:
-1.25Polar Surface Area:
97.98HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4464628
Name:
5-bromo-6-(((2,3-dihydroxypropyl)amino)methyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C8H12BrN3O4M.W.:
294.11Type:
UnknownAlogP:
-1.73Polar Surface Area:
118.21HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
-1.89Polar Surface Area:
118.21HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4445259
Name:
5-bromo-6-(((2-hydroxyethyl)amino)methyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C7H10BrN3O3M.W.:
264.08Type:
UnknownAlogP:
-1.09Polar Surface Area:
97.98HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4439474
Name:
5-chloro-6-(((2-hydroxyethyl)amino)methyl)pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C7H10ClN3O3M.W.:
219.63Type:
UnknownAlogP:
-1.20Polar Surface Area:
97.98HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4438928
Name:
6-((dimethylamino)methyl)-5-iodopyrimidine-2,4(1H,3H)-dioneMol. Formula:
C7H10IN3O2M.W.:
295.08Type:
UnknownAlogP:
-0.27Polar Surface Area:
68.96HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
-1.55Polar Surface Area:
109.42HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
0.83Polar Surface Area:
96.68HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.26DETAILS
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