Compounds

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
102.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2253193

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboShow More⌵

Mol. Formula:
C15H8BrCl3N4O

M.W.:
446.52

2 activity values

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2253192

Name:
3-Bromo-N-(2-nitro-4-chlorophenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-cShow More⌵

Mol. Formula:
C15H8BrCl2N5O3

M.W.:
457.07

2 activity values

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
102.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2253189

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(2-methyl-6-nitrophenyl)-1H-pyrazole-5-cShow More⌵

Mol. Formula:
C16H11BrClN5O3

M.W.:
436.65

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
102.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2253188

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(2,6-dimethylphenyl)-1H-pyrazole-5-carboShow More⌵

Mol. Formula:
C17H14BrClN4O

M.W.:
405.68

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2253187

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(2-methyl-4-nitrophenyl)-1H-pyrazole-5-cShow More⌵

Mol. Formula:
C16H11BrClN5O3

M.W.:
436.65

6 activity values

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
102.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2253186

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(2,4-dimethylphenyl)-1H-pyrazole-5-carboShow More⌵

Mol. Formula:
C17H14BrClN4O

M.W.:
405.68

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2253185

Name:
3-Bromo-N-(3-chloro-4-fluorophenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-Show More⌵

Mol. Formula:
C15H8BrCl2FN4O

M.W.:
430.06

3 activity values

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2253184

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamiShow More⌵

Mol. Formula:
C17H14BrClN4O2

M.W.:
421.68

3 activity values

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
69.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2253183

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(4-nitrophenyl)-1H-pyrazole-5-carboxamidShow More⌵

Mol. Formula:
C15H9BrClN5O3

M.W.:
422.63

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
102.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2253182

Name:
3-Bromo-1-(3-chloropyridin-2-yl)-N-(4-iodophenyl)-1H-pyrazole-5-carboxamide

Mol. Formula:
C15H9BrClIN4O

M.W.:
503.53

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2253179

Name:
3-Bromo-N-(3-chlorophenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamiShow More⌵

Mol. Formula:
C15H9BrCl2N4O

M.W.:
412.07

2 activity values

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2251429

Name:
(E)-N-(4-((cyclopentyloxyimino)methyl)phenylcarbamoyl)-2,6-difluorobenzamidShow More⌵

Mol. Formula:
C20H19F2N3O3

M.W.:
387.39

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2251428

Name:
(E)-2,6-difluoro-N-(4-((pentyloxyimino)methyl)phenylcarbamoyl)benzamide

Mol. Formula:
C20H21F2N3O3

M.W.:
389.40

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2251427

Name:
(E)-2,6-difluoro-N-(4-((isobutoxyimino)methyl)phenylcarbamoyl)benzamide

Mol. Formula:
C19H19F2N3O3

M.W.:
375.38

12 activity values

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2251426

Name:
(E)-2,6-difluoro-N-(4-((pentan-2-yloxyimino)methyl)phenylcarbamoyl)benzamidShow More⌵

Mol. Formula:
C20H21F2N3O3

M.W.:
389.40

11 activity values

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2251425

Name:
(E)-N-(4-((sec-butoxyimino)methyl)phenylcarbamoyl)-2,6-difluorobenzamide

Mol. Formula:
C19H19F2N3O3

M.W.:
375.38

11 activity values

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2251424

Name:
(E)-N-(4-((butoxyimino)methyl)phenylcarbamoyl)-2,6-difluorobenzamide

Mol. Formula:
C19H19F2N3O3

M.W.:
375.38

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2251422

Name:
(E)-methyl 2-(4-(3-(2,6-difluorobenzoyl)ureido)benzylideneaminooxy)acetate

Mol. Formula:
C18H15F2N3O5

M.W.:
391.33

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
106.09

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2251421

Name:
(E)-2,6-difluoro-N-(4-((prop-2-ynyloxyimino)methyl)phenylcarbamoyl)benzamidShow More⌵

Mol. Formula:
C18H13F2N3O3

M.W.:
357.32

12 activity values