ALA4871495Name:
4-(3-Fluorophenyl)-N-(oxazol-2-yl)picolinamideMol. Formula:
C15H10FN3O2M.W.:
283.26Type:
UnknownAlogP:
3.13Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA5284694Name:
N-dodecyl-N-(2-hydroxyethyl)morpholinium bromideMol. Formula:
C18H38BrNO2M.W.:
380.41Type:
---AlogP:
3.75Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
1.32Polar Surface Area:
115.13HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS
ALA4863845Name:
4-(3,4-Difluorophenyl)-N-(oxazol-2-yl)picolinamideMol. Formula:
C15H9F2N3O2M.W.:
301.25Type:
UnknownAlogP:
3.27Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
UnknownAlogP:
4.61Polar Surface Area:
77.25HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS-
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
3.89Polar Surface Area:
77.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.89Polar Surface Area:
77.25HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4850015
Name:
4-(4-Methoxyphenoxy)-N-(oxazol-2-yl)picolinamideMol. Formula:
C16H13N3O4M.W.:
311.30Type:
UnknownAlogP:
3.12Polar Surface Area:
86.48HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
4.24Polar Surface Area:
114.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4868349
Name:
4-(4-Chlorophenyl)-N-(oxazol-2-yl)picolinamideMol. Formula:
C15H10ClN3O2M.W.:
299.72Type:
UnknownAlogP:
3.64Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
3.78Polar Surface Area:
68.02HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
1.37Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
4.74Polar Surface Area:
68.02HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
5.72Polar Surface Area:
68.02HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
2.35Polar Surface Area:
139.33HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
3.00Polar Surface Area:
122.00HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
---AlogP:
3.96Polar Surface Area:
290.68HBA:
19HBD:
6#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
UnknownAlogP:
6.48Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
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