Compounds

ALA5271745

Name:
3-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)-5-fluorobenzoic acid

Mol. Formula:
C20H15ClFNO2

M.W.:
355.80

Type:
---

AlogP:
5.46

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5269110

Name:
3-fluoro-5-(((2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)amino)benzoiShow More⌵

Mol. Formula:
C18H12F4N2O2S

M.W.:
396.37

Type:
---

AlogP:
5.28

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5268858

Name:
3-(((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)amino)benzoic acid

Mol. Formula:
C21H16F3NO2

M.W.:
371.36

Type:
---

AlogP:
5.68

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5268823

Name:
3-(([1,1'-biphenyl]-4-ylmethyl)amino)-5-fluorobenzoic acid

Mol. Formula:
C20H16FNO2

M.W.:
321.35

Type:
---

AlogP:
4.80

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5268212

Name:
3-fluoro-5-(((4'-methyl-[1,1'-biphenyl]-4-yl)methyl)amino)benzoic acid

Mol. Formula:
C21H18FNO2

M.W.:
335.38

Type:
---

AlogP:
5.11

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5268031

Name:
2-fluoro-5-(((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)amino)benzoiShow More⌵

Mol. Formula:
C21H15F4NO2

M.W.:
389.35

Type:
---

AlogP:
5.82

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5282696

Name:
3-Fluoro-5-(((2-methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)amiShow More⌵

Mol. Formula:
C22H17F4NO2

M.W.:
403.38

Type:
---

AlogP:
6.13

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5279537

Name:
3-fluoro-5-(((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)amino)benzoic acid

Mol. Formula:
C21H18FNO3

M.W.:
351.38

Type:
---

AlogP:
4.81

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5274814

Name:
4-fluoro-3-(((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)amino)benzoiShow More⌵

Mol. Formula:
C21H15F4NO2

M.W.:
389.35

Type:
---

AlogP:
5.82

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5274164

Name:
2-fluoro-3-(((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methyl)amino)benzoiShow More⌵

Mol. Formula:
C21H15F4NO2

M.W.:
389.35

Type:
---

AlogP:
5.82

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5273477

Name:
3-(((4'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-5-fluorobenzoic acid

Mol. Formula:
C21H15FN2O2

M.W.:
346.36

Type:
---

AlogP:
4.67

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5273211

Name:
3-fluoro-5-(((1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)amShow More⌵

Mol. Formula:
C17H12F4N4O2

M.W.:
380.30

Type:
---

AlogP:
3.74

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5273159

Name:
3-(((4'-fluoro-[1,1'-biphenyl]-4-yl)methyl)amino)benzoic acid

Mol. Formula:
C20H16FNO2

M.W.:
321.35

Type:
---

AlogP:
4.80

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5286820

Name:
4-(((2Z,5Z)-5-((E)-3-(4-(dimethylamino)phenyl)allylidene)-4-oxo-2-(phenylimShow More⌵

Mol. Formula:
C28H25N3O3S

M.W.:
483.59

Type:
---

AlogP:
5.81

Polar Surface Area:
73.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5286196

Name:
3-(((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)amino)benzoic acid

Mol. Formula:
C21H19NO3

M.W.:
333.39

Type:
---

AlogP:
4.67

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5283572

Name:
3-(((1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzoShow More⌵

Mol. Formula:
C17H13F3N4O2

M.W.:
362.31

Type:
---

AlogP:
3.60

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5290621

Name:
3-Fluoro-5-(((6-(4-(trifluoromethyl)phenyl)pyridin-3-yl)methyl)amino)benzoiShow More⌵

Mol. Formula:
C20H14F4N2O2

M.W.:
390.34

Type:
---

AlogP:
5.22

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5287640

Name:
3-fluoro-5-(((2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)methyl)amino)benzoiShow More⌵

Mol. Formula:
C18H12F4N2O2S

M.W.:
396.37

Type:
---

AlogP:
5.28

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5266490

Name:
Chrysin 5-Methyl-7-Benzylether

Mol. Formula:
C23H18O4

M.W.:
358.39

Type:
---

AlogP:
5.05

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5207420

Name:
2-benzamido-3-(benzylthio)butanoic acid

Mol. Formula:
C18H19NO3S

M.W.:
329.42

5 activity values

3 unique targets

Type:
---

AlogP:
3.19

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.82

DETAILS