ALA3617316Name:
7-Hydroxy-4-hydro-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxylic acidMol. Formula:
C6H4N4O3M.W.:
180.12Type:
Small moleculeAlogP:
-0.47Polar Surface Area:
100.61HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA453239Name:
4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acidMol. Formula:
C13H12ClNO2M.W.:
249.70Type:
Small moleculeAlogP:
3.15Polar Surface Area:
53.09HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
Small moleculeAlogP:
2.28Polar Surface Area:
50.44HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS
6-chloro-1,2-benzoxazol-3-olName:
6-chlorobenzo-[d]-isoxazol-3-olMol. Formula:
C7H4ClNO2M.W.:
169.57Type:
Small moleculeAlogP:
2.19Polar Surface Area:
46.26HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
1.54Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
1.80Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
1.54Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.64DETAILS
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