Type:
---AlogP:
5.28Polar Surface Area:
125.36HBA:
4HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS
ALA5271301Name:
N-(4-chlorophenyl)-8-hydroxyquinoline-5-sulfonamideMol. Formula:
C15H11ClN2O3SM.W.:
334.78Type:
---AlogP:
3.39Polar Surface Area:
79.29HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
Small moleculeAlogP:
5.95Polar Surface Area:
75.71HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4168856Name:
2-(3-chlorobenzo[b]thiophen-2-yl)-3-(4-fluorophenyl)quinazolin-4(3H)-oneMol. Formula:
C22H12ClFN2OSM.W.:
406.87Type:
Small moleculeAlogP:
6.06Polar Surface Area:
34.89HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA4163780Name:
2-(3-chlorobenzo[b]thiophen-2-yl)-3-(4-nitrophenyl)quinazolin-4(3H)-oneMol. Formula:
C22H12ClN3O3SM.W.:
433.88Type:
Small moleculeAlogP:
5.83Polar Surface Area:
78.03HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.26DETAILS-
Type:
Small moleculeAlogP:
6.39Polar Surface Area:
14.54HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.68Polar Surface Area:
124.77HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
51.02HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3099070
Name:
(Z)-1,3-Bis(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-oneMol. Formula:
C17H11Cl2N3OM.W.:
344.20Type:
Small moleculeAlogP:
4.47Polar Surface Area:
47.78HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
47.78HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.78Polar Surface Area:
47.78HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2401887
Name:
2-Bromo-N-(4-chlorobenzyl)-N-[2-(4-nitro-1H-imidazol-1-yl)ethyl]ethanamineMol. Formula:
C14H16BrClN4O2M.W.:
387.67Type:
Small moleculeAlogP:
3.34Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2401886
Name:
2-Bromo-N-(3-chlorobenzyl)-N-[2-(4-nitro-1H-imidazol-1-yl)ethyl]ethanamineMol. Formula:
C14H16BrClN4O2M.W.:
387.67Type:
Small moleculeAlogP:
3.34Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2401885
Name:
2-Bromo-N-(2-chlorobenzyl)-N-[2-(4-nitro-1H-imidazol-1-yl)ethyl]ethanamineMol. Formula:
C14H16BrClN4O2M.W.:
387.67Type:
Small moleculeAlogP:
3.34Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
3.28Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2401870
Name:
2-Bromo-N-(4-chlorobenzyl)-N-[2-(5-nitro-1H-imidazol-1-yl)ethyl]ethanamineMol. Formula:
C14H16BrClN4O2M.W.:
387.67Type:
Small moleculeAlogP:
3.34Polar Surface Area:
64.20HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS
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