Type:
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
ALA511101Name:
4,5-dichlorofuran-2-carboxylic acidCas Number:
6504-32-1Mol. Formula:
C5H2Cl2O3M.W.:
180.97Type:
Small moleculeAlogP:
2.28Polar Surface Area:
50.44HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS
ALA445990Name:
6-chlorobenzo-[d]-isoxazol-3-olCas Number:
61977-29-5Mol. 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
ALA467659Name:
3-hydroxy-1-methylquinolin-2(1H)-oneCas Number:
172604-63-6Mol. Formula:
C10H9NO2M.W.:
175.19Type:
Small moleculeAlogP:
1.24Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.65DETAILS- ALA467455
Name:
3-methoxyquinolin-2(1H)-oneCas Number:
24186-92-3Mol. Formula:
C10H9NO2M.W.:
175.19Type:
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 - ALA495022
Name:
3-Hydroxy-6-methylquinolin-2(1H)-oneCas Number:
408335-66-0Mol. Formula:
C10H9NO2M.W.:
175.19Type:
Small moleculeAlogP:
1.54Polar Surface Area:
53.09HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.64DETAILS
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