Type:
Small moleculeAlogP:
2.35Polar Surface Area:
70.67HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA4251207Name:
Potassium 2-Hydroxy-4-(4-nitrophenyl)benzoic acidMol. Formula:
C13H8KNO5M.W.:
297.31Type:
Small moleculeAlogP:
2.67Polar Surface Area:
100.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA4250125Name:
4-((2-chloro-5-(trifluoromethyl)phenyl)diazenyl)-3-hydroxy-2-naphthoic acidMol. Formula:
C18H10ClF3N2O3M.W.:
394.74Type:
Small moleculeAlogP:
6.33Polar Surface Area:
82.25HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA4248634Name:
Potassium 4-(4-Benzyloxyphenyl)-2-hydroxybenzoic acidMol. Formula:
C20H15KO4M.W.:
358.43Type:
Small moleculeAlogP:
4.34Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
113.81HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS- 7-Bromo-3-hydroxy-2-naphthoic Acid
Name:
7-bromo-3-hydroxy-2-naphthoic acidMol. Formula:
C11H7BrO3M.W.:
267.08Type:
Small moleculeAlogP:
3.01Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
2.16Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4247028
Name:
4-[2-(3,5-Difluorophenoxymethyl)phenyl]-2-hydroxybenzoic acidMol. Formula:
C20H14F2O4M.W.:
356.32Type:
Small moleculeAlogP:
4.61Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.46Polar Surface Area:
67.51HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
2.05Polar Surface Area:
107.97HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4246088
Name:
Potassium 2-Hydroxy-4-(4-hydroxyphenyl)benzoic acidMol. Formula:
C13H9KO4M.W.:
268.31Type:
Small moleculeAlogP:
2.46Polar Surface Area:
77.76HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.74DETAILS - 1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid
Name:
1-hydroxy-4-(4-nitrophenoxy)-2-naphthoic acidMol. Formula:
C17H11NO6M.W.:
325.28Type:
Small moleculeAlogP:
3.94Polar Surface Area:
109.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
2.82Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.05Polar Surface Area:
107.97HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4244832
Name:
Potassium 2-Hydroxy-4-(5-methylthien-2-yl)benzoic acidMol. Formula:
C12H9KO3SM.W.:
272.37Type:
Small moleculeAlogP:
3.13Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - L-Glutamic acid γ-(3-carboxy-4-hydroxyanilide)
Name:
(S)-5-(4-amino-4-carboxybutanamido)-2-hydroxybenzoic acidMol. Formula:
C12H14N2O6M.W.:
282.25Type:
Small moleculeAlogP:
0.22Polar Surface Area:
149.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
76.74HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
2.16Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4244366
Name:
Potassium 2-Hydroxy-4-[4-(4-methoxyphenylmethoxy)phenyl]benzoic acidMol. Formula:
C21H17KO5M.W.:
388.46Type:
Small moleculeAlogP:
4.35Polar Surface Area:
75.99HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS
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