Compounds

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
59.98

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2289648

Name:
5-(methoxy(2-(((1-phenylethylidene)hydrazono)methyl)phenyl)methyl)-3-methylShow More⌵

Mol. Formula:
C21H21N3O2

M.W.:
347.42

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
59.98

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2289646

Name:
2-(methoxy(3-methylisoxazol-5-yl)methyl)benzaldehyde O-1-(4-chlorophenyl)etShow More⌵

Mol. Formula:
C21H21ClN2O3

M.W.:
384.86

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2289645

Name:
(Z)-methyl 4-chloro-N-(2-(methoxy(3-methylisoxazol-5-yl)methyl)benzyloxy)beShow More⌵

Mol. Formula:
C21H21ClN2O3S

M.W.:
416.93

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
56.85

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2289644

Name:
(E)-1-(4-chlorophenyl)ethanone O-2-(methoxy(3-methylisoxazol-5-yl)methyl)beShow More⌵

Mol. Formula:
C21H21ClN2O3

M.W.:
384.86

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2289643

Name:
5-((2-((3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)methyl)phenyl)(methoxy)Show More⌵

Mol. Formula:
C19H16ClF3N2O3

M.W.:
412.80

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
57.38

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2289642

Name:
5-(methoxy(2-((5-(trifluoromethyl)pyridin-2-yloxy)methyl)phenyl)methyl)-3-mShow More⌵

Mol. Formula:
C19H17F3N2O3

M.W.:
378.35

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
57.38

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289641

Name:
5-((2-(4-chlorostyryl)phenyl)(methoxy)methyl)-3-methylisoxazole

Mol. Formula:
C20H18ClNO2

M.W.:
339.82

Type:
Small molecule

AlogP:
5.54

Polar Surface Area:
35.26

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2289640

Name:
5-(methoxy(2-(o-tolyloxymethyl)phenyl)methyl)-3-methylisoxazole

Mol. Formula:
C20H21NO3

M.W.:
323.39

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289406

Name:
2-(6-(2-(methoxy(3-methylisoxazol-5-yl)methyl)phenoxy)pyrimidin-4-yloxy)benShow More⌵

Mol. Formula:
C23H18N4O4

M.W.:
414.42

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
103.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2289405

Name:
5-((2-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)(methoxy)methyl)-Show More⌵

Mol. Formula:
C18H14ClF3N2O3

M.W.:
398.77

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
57.38

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2289404

Name:
5-(methoxy(2-phenoxyphenyl)methyl)-3-methylisoxazole

Mol. Formula:
C18H17NO3

M.W.:
295.34

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2289403

Name:
5-((2-((2,5-dimethylphenoxy)methyl)phenyl)(methoxy)methyl)-3-methyl-4,5-dihShow More⌵

Mol. Formula:
C21H25NO3

M.W.:
339.44

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
40.05

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2289402

Name:
3-((2-((2,5-dimethylphenoxy)methyl)phenyl)(methoxy)methyl)-4,5-dihydroisoxaShow More⌵

Mol. Formula:
C20H23NO3

M.W.:
325.41

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
40.05

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2289401

Name:
4-((2-((2,5-dimethylphenoxy)methyl)phenyl)(methoxy)methyl)-3,5-dimethylisoxShow More⌵

Mol. Formula:
C22H25NO3

M.W.:
351.45

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2289400

Name:
5-((2-((2,5-dimethylphenoxy)methyl)phenyl)(methoxy)methyl)-3-methylisoxazolShow More⌵

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289399

Name:
3-((2-((2,5-dimethylphenoxy)methyl)phenyl)(methoxy)methyl)-5-methylisoxazolShow More⌵

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289398

Name:
3-((2-((2,5-dimethylphenoxy)methyl)phenyl)(methoxy)methyl)isoxazole

Mol. Formula:
C20H21NO3

M.W.:
323.39

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
44.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2289396

Name:
5-((2-(((1-(2,4-dichlorophenyl)ethylidene)hydrazono)methyl)phenyl)(methoxy)Show More⌵

Mol. Formula:
C21H19Cl2N3O2

M.W.:
416.31

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
59.98

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2289395

Name:
5-(methoxy(2-(((1-(4-(trifluoromethoxy)phenyl)ethylidene)hydrazono)methyl)pShow More⌵

Mol. Formula:
C22H20F3N3O3

M.W.:
431.41

8 activity values