Type:
---AlogP:
3.23Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5279550Name:
(E)-4-(2-(4-Oxo-3,4-dihydroquinazolin-2-yl)vinyl)benzonitrileMol. Formula:
C17H11N3OM.W.:
273.30Type:
---AlogP:
2.97Polar Surface Area:
69.54HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
---AlogP:
3.75Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5274476Name:
(E)-2-(2-(Thiophen-2-yl)vinyl)quinazolin-4(3H)-oneMol. Formula:
C14H10N2OSM.W.:
254.31Type:
---AlogP:
3.16Polar Surface Area:
45.75HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA5283262Name:
(E)-2-(2-(Perfluorophenyl)vinyl)quinazolin-4(3H)-oneMol. Formula:
C16H7F5N2OM.W.:
338.24Type:
---AlogP:
3.79Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS- ALA5287753
Name:
(E)-2-(1-phenylprop-1-en-2-yl)quinazolin-4(3H)-oneMol. Formula:
C17H14N2OM.W.:
262.31Type:
---AlogP:
3.48Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
4.69Polar Surface Area:
93.86HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
4.39Polar Surface Area:
93.86HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
3.78Polar Surface Area:
108.42HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4796140
Name:
(10-(2-hydroxybenzoyloxy)decyl)triphenylphosphonium bromideMol. Formula:
C35H40BrO3PM.W.:
619.58Type:
UnknownAlogP:
7.66Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA4788330
Name:
(10-(2,3-dihydroxybenzoyloxy)decyl)triphenylphosphonium bromideMol. Formula:
C35H40BrO4PM.W.:
635.58Type:
UnknownAlogP:
7.37Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.07DETAILS - ALA4780051
Name:
(10-(2,5-dihydroxybenzoyloxy)decyl)triphenylphosphonium bromideMol. Formula:
C35H40BrO4PM.W.:
635.58Type:
UnknownAlogP:
7.37Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
UnknownAlogP:
2.09Polar Surface Area:
115.35HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
3.61Polar Surface Area:
99.69HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4566807
Name:
(E)-3-(4-(((2,2-diphenylpropanamido)oxy)methyl)phenyl)-N-hydroxyacrylamideMol. Formula:
C25H24N2O4M.W.:
416.48Type:
UnknownAlogP:
3.76Polar Surface Area:
87.66HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
UnknownAlogP:
4.13Polar Surface Area:
99.69HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
2.79Polar Surface Area:
103.45HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
2.47Polar Surface Area:
108.92HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
UnknownAlogP:
3.08Polar Surface Area:
99.69HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
2.62Polar Surface Area:
100.55HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS
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