Type:
Small moleculeAlogP:
3.79Polar Surface Area:
140.09HBA:
11HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4105368Name:
7-fluoro-3-(4-fluorophenylsulfonyl)-4-(4-methoxyphenyl)quinolineMol. Formula:
C22H15F2NO3SM.W.:
411.43Type:
Small moleculeAlogP:
5.02Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
5.02Polar Surface Area:
105.28HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS-
Type:
Small moleculeAlogP:
2.07Polar Surface Area:
172.88HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
4.88Polar Surface Area:
136.18HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4104591
Name:
3-(3,5-difluorophenylsulfonyl)-8-fluoro-4-(3-fluorophenyl)quinolineMol. Formula:
C21H11F4NO2SM.W.:
417.38Type:
Small moleculeAlogP:
5.29Polar Surface Area:
47.03HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
2.70Polar Surface Area:
76.46HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
1.52Polar Surface Area:
70.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4104306
Name:
4-(3-chlorophenyl)-3-(3,5-dichlorophenylsulfonyl)-7-fluoroquinolineMol. Formula:
C21H11Cl3FNO2SM.W.:
466.75Type:
Small moleculeAlogP:
6.83Polar Surface Area:
47.03HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4104291
Name:
4-(4-chlorophenyl)-7-fluoro-3-(4-methoxyphenylsulfonyl)quinolineMol. Formula:
C22H15ClFNO3SM.W.:
427.88Type:
Small moleculeAlogP:
5.54Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
3.68Polar Surface Area:
77.12HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4103945
Name:
8-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenylsulfonyl)quinolineMol. Formula:
C23H18FNO4SM.W.:
423.47Type:
Small moleculeAlogP:
4.89Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
69.14HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4103274
Name:
8-fluoro-3-(3-fluorophenylsulfonyl)-4-(3-methoxyphenyl)quinolineMol. Formula:
C22H15F2NO3SM.W.:
411.43Type:
Small moleculeAlogP:
5.02Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
70.16HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
82.03HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
1.81Polar Surface Area:
79.04HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS
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