Type:
UnknownAlogP:
4.80Polar Surface Area:
127.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
UnknownAlogP:
7.25Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
UnknownAlogP:
2.95Polar Surface Area:
138.12HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.20DETAILS
Type:
UnknownAlogP:
4.21Polar Surface Area:
101.67HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
Type:
UnknownAlogP:
2.36Polar Surface Area:
74.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
UnknownAlogP:
1.50Polar Surface Area:
63.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS - ALA4529042
Name:
5,7-difluoro-2-methyl-3-undecyl-1H-quinolin-4-oneMol. Formula:
C21H29F2NOM.W.:
349.47Type:
UnknownAlogP:
6.19Polar Surface Area:
32.86HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
2.91Polar Surface Area:
124.68HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4743039
Name:
3-(4-(tert-Butyl)benzamido)-5-chloropicolinic acidMol. Formula:
C17H17ClN2O3M.W.:
332.79Type:
UnknownAlogP:
3.98Polar Surface Area:
79.29HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
UnknownAlogP:
4.07Polar Surface Area:
68.29HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
UnknownAlogP:
4.75Polar Surface Area:
79.29HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4761682
Name:
5-Chloro-3-(3-methoxybenzamido)picolinic acidMol. Formula:
C14H11ClN2O4M.W.:
306.70Type:
UnknownAlogP:
2.69Polar Surface Area:
88.52HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
5.21Polar Surface Area:
57.15HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
5.65Polar Surface Area:
79.29HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4577948
Name:
5-(2,4-dinitrophenoxy)iminoquinolin-8-oneCas Number:
681472-41-3Mol. Formula:
C15H8N4O6M.W.:
340.25Type:
UnknownAlogP:
2.43Polar Surface Area:
137.83HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4784551
Name:
3-(4-(tert-Butyl)benzamido)-5-chloropicolinamideMol. Formula:
C17H18ClN3O2M.W.:
331.80Type:
UnknownAlogP:
3.38Polar Surface Area:
85.08HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4754068
Name:
4-(4-(tert-Butyl)benzamido)-6-chloronicotinic acidMol. Formula:
C17H17ClN2O3M.W.:
332.79Type:
UnknownAlogP:
3.98Polar Surface Area:
79.29HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4752904
Name:
6-Bromo-3-(4-(tert-butyl)benzamido)picolinic acidMol. Formula:
C17H17BrN2O3M.W.:
377.24Type:
UnknownAlogP:
4.09Polar Surface Area:
79.29HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
2.69Polar Surface Area:
79.29HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS -
Type:
UnknownAlogP:
3.46Polar Surface Area:
96.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
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