ALA2269050Name:
N-(4-Phenoxyphenyl)-2-pyridinecarboxamideCas Number:
255904-96-2Mol. Formula:
C18H14N2O2M.W.:
290.32Type:
Small moleculeAlogP:
4.13Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA2269049Name:
N-(4-phenoxyphenyl)nicotinamideCas Number:
255904-97-3Mol. Formula:
C18H14N2O2M.W.:
290.32Type:
Small moleculeAlogP:
4.13Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
93.21HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA2269047Name:
N-(4-(4-acetamidophenoxy)phenyl)isonicotinamideMol. Formula:
C20H17N3O3M.W.:
347.37Type:
Small moleculeAlogP:
4.08Polar Surface Area:
80.32HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
80.32HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS-
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
80.32HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
64.11HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2269043
Name:
N-(4-phenoxyphenyl)isonicotinamideCas Number:
255904-98-4Mol. Formula:
C18H14N2O2M.W.:
290.32Type:
Small moleculeAlogP:
4.13Polar Surface Area:
51.22HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
102.44HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
4.86Polar Surface Area:
89.55HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2269040
Name:
allyl 4-(4-(nicotinamido)phenoxy)phenylcarbamateMol. Formula:
C22H19N3O4M.W.:
389.41Type:
Small moleculeAlogP:
4.86Polar Surface Area:
89.55HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2269039
Name:
allyl 4-(4-(picolinamido)phenoxy)phenylcarbamateMol. Formula:
C22H19N3O4M.W.:
389.41Type:
Small moleculeAlogP:
4.86Polar Surface Area:
89.55HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.80Polar Surface Area:
73.58HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.59Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
6.98Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
5.42Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
3.08Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS
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