ALA5280414Name:
4-[2-(1,1,4,4,7-pentamethyltetralin-6-yl)-1,3-dioxolan-2-yl]benzoic acidMol. Formula:
C25H30O4M.W.:
394.51Type:
---AlogP:
5.29Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5279494Name:
4-(N-ethyl-3-isopropoxy-4-isopropyl-anilino)benzoic acidMol. Formula:
C21H27NO3M.W.:
341.45Type:
---AlogP:
5.45Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
---AlogP:
6.99Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
6.81Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA5289973Name:
4-(N-ethyl-3-isobutoxy-4-isopropyl-anilino)benzoic acidMol. Formula:
C22H29NO3M.W.:
355.48Type:
---AlogP:
5.70Polar Surface Area:
49.77HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.66DETAILS-
Type:
---AlogP:
7.80Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
---AlogP:
7.16Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
---AlogP:
7.55Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
5.78Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
---AlogP:
7.41Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
8.05Polar Surface Area:
64.35HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
UnknownAlogP:
7.66Polar Surface Area:
64.35HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
6.04Polar Surface Area:
77.24HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
6.43Polar Surface Area:
77.24HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4879068
Name:
3-(4-(4-Chlorophenyl)-5-(3,5-dichlorophenyl)oxazol-2-yl)propanoic acidMol. Formula:
C18H12Cl3NO3M.W.:
396.66Type:
UnknownAlogP:
5.99Polar Surface Area:
63.33HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA4878182
Name:
3-(4-(3-Chlorophenyl)-5-phenyloxazol-2-yl)propanoic acidMol. Formula:
C18H14ClNO3M.W.:
327.77Type:
UnknownAlogP:
4.68Polar Surface Area:
63.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4876667
Name:
3-(4-Phenyl-5-(3-(trifluoromethyl)phenyl)oxazol-2-yl)propanoic acidMol. Formula:
C19H14F3NO3M.W.:
361.32Type:
UnknownAlogP:
5.04Polar Surface Area:
63.33HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4875485
Name:
3-(5-(3-Chlorophenyl)-4-phenyloxazol-2-yl)propanoic acidMol. Formula:
C18H14ClNO3M.W.:
327.77Type:
UnknownAlogP:
4.68Polar Surface Area:
63.33HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4874191
Name:
3-(5-(3,5-Dichlorophenyl)-4-phenyloxazol-2-yl)propanoic acidMol. Formula:
C18H13Cl2NO3M.W.:
362.21Type:
UnknownAlogP:
5.33Polar Surface Area:
63.33HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4874180
Name:
3-(5-(3,5-Dichlorophenyl)-1'-methyl-[1H-1,3'-bipyrazol]-3-yl)propanoic acidMol. Formula:
C16H14Cl2N4O2M.W.:
365.22Type:
UnknownAlogP:
3.60Polar Surface Area:
72.94HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
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