Compounds

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2288811

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(3-ethylisoxazol-5-yl)methanone Show More⌵

Mol. Formula:
C22H24N2O3

M.W.:
364.45

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2288810

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(3-methylisoxazol-5-yl)methanoneShow More⌵

Mol. Formula:
C21H22N2O3

M.W.:
350.42

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2288809

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(isoxazol-5-yl)methanone O-methyShow More⌵

Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2288808

Name:
(E)-(3,5-dimethylisoxazol-4-yl)(2-((2,5-dimethylphenoxy)methyl)phenyl)methaShow More⌵

Mol. Formula:
C22H24N2O3

M.W.:
364.45

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2288807

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(5-methoxyisoxazol-3-yl)methanonShow More⌵

Mol. Formula:
C21H22N2O4

M.W.:
366.42

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
66.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2288806

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(5-methylisoxazol-3-yl)methanoneShow More⌵

Mol. Formula:
C21H22N2O3

M.W.:
350.42

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2288804

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(3-methyl-4,5-dihydroisoxazol-5-Show More⌵

Mol. Formula:
C21H24N2O3

M.W.:
352.43

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
52.41

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2288803

Name:
(E)-(5,5-dimethyl-4,5-dihydroisoxazol-3-yl)(2-((2,5-dimethylphenoxy)methyl)Show More⌵

Mol. Formula:
C22H26N2O3

M.W.:
366.46

Type:
Small molecule

AlogP:
4.79

Polar Surface Area:
52.41

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2288802

Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(5-methyl-4,5-dihydroisoxazol-3-Show More⌵

Mol. Formula:
C21H24N2O3

M.W.:
352.43

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
52.41

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2288799

Name:
(E/Z)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(5-methylisoxazol-3-yl)methanoShow More⌵

Mol. Formula:
C21H22N2O3

M.W.:
350.42

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2288798

Name:
(Z)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(isoxazol-5-yl)methanone O-methyShow More⌵

Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2288797

Name:
(Z)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(isoxazol-3-yl)methanone O-methyShow More⌵

Mol. Formula:
C20H20N2O3

M.W.:
336.39

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2288796

Name:
(E/Z)-(4,5-dihydroisoxazol-3-yl)(2-((2,5-dimethylphenoxy)methyl)phenyl)methShow More⌵

Mol. Formula:
C20H22N2O3

M.W.:
338.41

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
52.41

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2288343

Name:
(E)-2-(2-((2-chloropyridin-3-yloxy)methyl)phenyl)-2-(methoxyimino)-N-methylShow More⌵

Mol. Formula:
C16H16ClN3O3

M.W.:
333.77

9 activity values

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2286183

Name:
methyl 2-(2-((1,4-dimethyl-3-phenyl-1H-pyrazol-5-yloxy)methyl)phenyl)-3-metShow More⌵

Mol. Formula:
C23H24N2O4

M.W.:
392.46

Type:
Small molecule

AlogP:
4.13

Polar Surface Area:
62.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2286178

Name:
methyl 2-(2-((3-(2-chlorophenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)phenyl)Show More⌵

Mol. Formula:
C22H21ClN2O4

M.W.:
412.87

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
62.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2285970

Name:
methyl 2-(2-((3-(2,4-dimethylphenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)pheShow More⌵

Mol. Formula:
C24H26N2O4

M.W.:
406.48

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
62.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2285969

Name:
methyl 2-(2-((3-(3,4-dimethylphenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)pheShow More⌵

Mol. Formula:
C24H26N2O4

M.W.:
406.48

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
62.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2285965

Name:
methyl 2-(2-((3-(4-bromophenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)phenyl)-Show More⌵

Mol. Formula:
C22H21BrN2O4

M.W.:
457.32