Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
4.21Polar Surface Area:
67.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4515294Name:
Diclofenac ethyl esterCas Number:
15307-77-4Mol. Formula:
C16H15Cl2NO2M.W.:
324.21Type:
UnknownAlogP:
4.84Polar Surface Area:
38.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
UnknownAlogP:
3.51Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
UnknownAlogP:
2.04Polar Surface Area:
88.60HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS-
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA4465035
Name:
O-methyl phenylbutazoneCas Number:
27258-01-1Mol. Formula:
C20H22N2O2M.W.:
322.41Type:
UnknownAlogP:
3.98Polar Surface Area:
36.16HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA3976613
Name:
(Z)-2-(Heptadec-8'-enyl)-5-methyl-1,3,4-oxadiazoleMol. Formula:
C20H36N2OM.W.:
320.52Type:
Small moleculeAlogP:
6.57Polar Surface Area:
38.92HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4748951
Name:
4-(1H-indol-3-yl)-2-(p-tolyl)quinazoline-3-oxideMol. Formula:
C23H17N3OM.W.:
351.41Type:
UnknownAlogP:
4.99Polar Surface Area:
55.62HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
5.76Polar Surface Area:
171.49HBA:
8HBD:
5#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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