Compounds

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2287942

Name:
N-(2,3-dimethylphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yShow More⌵

Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287940

Name:
N-(4-bromophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)Show More⌵

Mol. Formula:
C14H12BrF3N2O3

M.W.:
393.16

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287939

Name:
N-(4-chlorophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxyShow More⌵

Mol. Formula:
C14H12ClF3N2O3

M.W.:
348.71

4 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287938

Name:
N-(4-fluorophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxyShow More⌵

Mol. Formula:
C14H12F4N2O3

M.W.:
332.25

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2287935

Name:
N-(4-ethylphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)Show More⌵

Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287934

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-p-tolylacetamidShow More⌵

Mol. Formula:
C15H15F3N2O3

M.W.:
328.29

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2287933

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-(3-nitrophenyl)Show More⌵

Mol. Formula:
C14H12F3N3O5

M.W.:
359.26

3 activity values

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
98.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2287932

Name:
N-(3-bromophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)Show More⌵

Mol. Formula:
C14H12BrF3N2O3

M.W.:
393.16

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287931

Name:
N-(3-chlorophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxyShow More⌵

Mol. Formula:
C14H12ClF3N2O3

M.W.:
348.71

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287929

Name:
N-(3-methoxyphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxShow More⌵

Mol. Formula:
C15H15F3N2O4

M.W.:
344.29

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
64.80

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287925

Name:
N-(2-bromophenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)Show More⌵

Mol. Formula:
C14H12BrF3N2O3

M.W.:
393.16

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287922

Name:
N-(2-methoxyphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxShow More⌵

Mol. Formula:
C15H15F3N2O4

M.W.:
344.29

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
64.80

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287920

Name:
N-(2-isopropylphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-ylShow More⌵

Mol. Formula:
C17H19F3N2O3

M.W.:
356.34

4 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2287919

Name:
N-(2-ethylphenyl)-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)Show More⌵

Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287918

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-o-tolylacetamidShow More⌵

Mol. Formula:
C15H15F3N2O3

M.W.:
328.29

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2287917

Name:
N-hexyl-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)acetamide

Mol. Formula:
C14H21F3N2O3

M.W.:
322.33

2 activity values

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2287915

Name:
N-sec-butyl-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)acetamShow More⌵

Mol. Formula:
C12H17F3N2O3

M.W.:
294.27

3 activity values

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2287914

Name:
N-isobutyl-N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)acetamiShow More⌵

Mol. Formula:
C12H17F3N2O3

M.W.:
294.27

3 activity values

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2287911

Name:
N-isopropyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N-phenylacetamShow More⌵

Mol. Formula:
C16H17F3N2O3

M.W.:
342.32