ALA5267077Name:
5-Methoxy-1-methyl-2-(4-hydroxyphenyl)-4-quinoloneMol. Formula:
C17H15NO3M.W.:
281.31Type:
---AlogP:
2.92Polar Surface Area:
51.46HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA5266890Name:
7-((2'E,5'E)-7'-methoxy-3',7'-dimethylocta-2',5'-dienyloxy)coumarinMol. Formula:
C20H24O4M.W.:
328.41Type:
---AlogP:
4.49Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
---AlogP:
2.55Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS
Type:
---AlogP:
5.09Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA5282703Name:
7-(6'R-hydroxy-3',7'-dimethyl-2'E,7'-octadienyloxy)coumarinMol. Formula:
C19H22O6M.W.:
346.38Type:
---AlogP:
3.25Polar Surface Area:
100.13HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS-
Type:
---AlogP:
2.91Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA5278952
Name:
4,8-Dimethoxy-3-(3'-methyl-2'-oxobutyl)-2-quinoloneMol. Formula:
C16H19NO4M.W.:
289.33Type:
---AlogP:
2.31Polar Surface Area:
68.39HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
---AlogP:
2.31Polar Surface Area:
48.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
2.69Polar Surface Area:
29.54HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.66DETAILS - ALA5273048
Name:
2'R,3'-Acetyl-3',3'-dimethyl-8-methoxy-6,7-dihydropyrano[3,2-g]coumarinMol. Formula:
C17H18O6M.W.:
318.33Type:
---AlogP:
2.45Polar Surface Area:
74.97HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
---AlogP:
3.03Polar Surface Area:
37.30HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA5290928
Name:
3-(3',3'-dimethylallyl)-4,8-dimethoxy-N-methylquinolin-2-oneMol. Formula:
C17H21NO3M.W.:
287.36Type:
---AlogP:
3.06Polar Surface Area:
40.46HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5290113
Name:
6,8-Dimethoxy-7-(6'-peroxy-3',7'-dimethyl-2'E,7'-octadienyloxy)coumarinMol. Formula:
C21H26O7M.W.:
390.43Type:
---AlogP:
4.35Polar Surface Area:
87.36HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA5289185
Name:
5-Hydroxy-6-methoxy-1-methyl-2-(4-methoxyphenyl)-4-quinoloneMol. Formula:
C18H17NO4M.W.:
311.34Type:
---AlogP:
2.93Polar Surface Area:
60.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
---AlogP:
3.48Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5285354
Name:
7-Hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-N-methyl-2-quinoloneMol. Formula:
C17H21NO5M.W.:
319.36Type:
---AlogP:
2.03Polar Surface Area:
77.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA5284439
Name:
7-(7'-Peroxy-3',7'-dimethylocta-2',5'-dienyloxy)-6,8-dimethoxycoumarinMol. Formula:
C21H26O7M.W.:
390.43Type:
---AlogP:
4.35Polar Surface Area:
87.36HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
2.86Polar Surface Area:
72.81HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
3.06Polar Surface Area:
31.23HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
2.91Polar Surface Area:
42.23HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.72DETAILS
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