Compounds

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1774901

Name:
(R)-4-(4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl)-7-(4-(trifluoromethyl)phenShow More⌵

Mol. Formula:
C26H16F6O3

M.W.:
490.40

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1774900

Name:
4-(4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl)-7-(4-(trifluoromethyl)phenyl)-Show More⌵

Mol. Formula:
C26H16F6O3

M.W.:
490.40

Type:
Small molecule

AlogP:
7.49

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA1774899

Name:
4-(4-(methylsulfonyl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoic acid

Mol. Formula:
C25H17F3O4S

M.W.:
470.47

Type:
Small molecule

AlogP:
6.29

Polar Surface Area:
71.44

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1774898

Name:
4-(4-(methylsulfonyl)thiophen-3-yl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoShow More⌵

Mol. Formula:
C23H15F3O4S2

M.W.:
476.50

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
71.44

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1774897

Name:
4-(4-(methylsulfonyl)thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthShow More⌵

Mol. Formula:
C23H15F3O5S2

M.W.:
492.50

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
80.67

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1774896

Name:
4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-3-yl)-7-(4-(trifShow More⌵

Mol. Formula:
C25H13F9O4S

M.W.:
580.42

Type:
Small molecule

AlogP:
8.14

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1774895

Name:
3-hydroxy-4-(thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid

Mol. Formula:
C22H13F3O4S

M.W.:
430.40

Type:
Small molecule

AlogP:
6.54

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1774894

Name:
3-fluoro-4-(thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid

Mol. Formula:
C22H12F4O3S

M.W.:
432.39

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1774893

Name:
4-(thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid

Mol. Formula:
C22H13F3O3S

M.W.:
414.40

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1774892

Name:
7-(4-fluoro-2,6-dimethylbenzyloxy)-4-(thiophen-3-yl)-2-naphthoic acid

Mol. Formula:
C24H19FO3S

M.W.:
406.48

17 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1774891

Name:
7-(2,6-dimethylbenzyloxy)-4-(thiophen-3-yl)-2-naphthoic acid

Mol. Formula:
C24H20O3S

M.W.:
388.49

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1774890

Name:
4-(benzyloxy)-7-(2,6-dimethylbenzyloxy)-2-naphthoic acid

Mol. Formula:
C27H24O4

M.W.:
412.49

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1774889

Name:
7-(2,6-dimethylbenzyloxy)-2-naphthoic acid

Mol. Formula:
C20H18O3

M.W.:
306.36

2 activity values

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA1774888

Name:
7-((2,6-dimethylphenoxy)methyl)-4-phenyl-2-naphthoic acid

Mol. Formula:
C26H22O3

M.W.:
382.46

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1774887

Name:
7-(2,6-dimethylbenzyloxy)-4-phenyl-2-naphthoic acid

Mol. Formula:
C26H22O3

M.W.:
382.46

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1774886

Name:
7-(2,6-dichlorobenzyloxy)-4-phenyl-2-naphthoic acid

Mol. Formula:
C24H16Cl2O3

M.W.:
423.30

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1774885

Name:
7-(4-carboxybenzyloxy)-4-phenyl-2-naphthoic acid

Mol. Formula:
C25H18O5

M.W.:
398.41

2 activity values

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
83.83

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1774884

Name:
7-phenoxy-4-phenyl-2-naphthoic acid

Mol. Formula:
C23H16O3

M.W.:
340.38