Compounds

ALA4578901

Name:
2-((1r,4r)-4-(4-(5-(2-ethyl-4-methyloxazole-5-carboxamido)pyridin-2-yl)phenShow More⌵

Mol. Formula:
C26H29N3O4

M.W.:
447.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
105.32

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3613357

Name:
(E)-4-(4-(2-(2',6'-difluorobiphenyl-4-ylcarboxamido)ethylcarbamoyl)phenoxy)Show More⌵

Mol. Formula:
C33H32F2N2O5

M.W.:
574.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3613356

Name:
(E)-4-(4-(2-(2',6'-dichlorobiphenyl-4-ylcarboxamido)ethylcarbamoyl)phenoxy)Show More⌵

Mol. Formula:
C33H32Cl2N2O5

M.W.:
607.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.48

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3613355

Name:
(E)-4-(4-(2-(2',6'-dimethylbiphenyl-4-ylcarboxamido)ethylcarbamoyl)phenoxy)Show More⌵

Mol. Formula:
C35H38N2O5

M.W.:
566.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3613354

Name:
(E)-4-(4-{2-[(2-chlorobiphenyl-4-carbonyl)amino]ethylcarbamoyl}phenoxy)adamShow More⌵

Mol. Formula:
C33H33ClN2O5

M.W.:
573.09

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3613353

Name:
(E)-4-(4-{2-[(2'-chlorobiphenyl-4-carbonyl)amino]ethylcarbamoyl}phenoxy)adaShow More⌵

Mol. Formula:
C33H33ClN2O5

M.W.:
573.09

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3613352

Name:
(E)-4-(4-{2-[(2'-trifluoromethylbiphenyl-4-carbonyl)amino]ethylcarbamoyl}phShow More⌵

Mol. Formula:
C34H33F3N2O5

M.W.:
606.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3613351

Name:
(E)-4-(4-{2-[(2'-methylbiphenyl-4-carbonyl)amino]ethylcarbamoyl}phenoxy)adaShow More⌵

Mol. Formula:
C34H36N2O5

M.W.:
552.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3613350

Name:
(Z)-4-(4-{2-[(biphenyl-4-carbonyl)amino]ethylcarbamoyl}phenoxy)adamantane-1Show More⌵

Mol. Formula:
C33H34N2O5

M.W.:
538.64

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3613348

Name:
(Z)-4-(4-{2-[(naphthalene-2-carbonyl)amino]ethylcarbamoyl}phenoxy)adamantanShow More⌵

Mol. Formula:
C31H32N2O5

M.W.:
512.61

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3613347

Name:
(E)-(4-{2-[(naphthalene-2-carbonyl)amino]ethylcarbamoyl}phenoxy)adamantane-Show More⌵

Mol. Formula:
C31H32N2O5

M.W.:
512.61

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3613346

Name:
(E/Z)-4-(4-{3-[(biphenyl-4-carbonyl)amino]propylcarbamoyl}phenoxy)adamantanShow More⌵

Mol. Formula:
C34H36N2O5

M.W.:
552.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3613345

Name:
(E/Z)-4-(4-{3-[(naphthalene-2-carbonyl)amino]propylcarbamoyl}phenoxy)-adamaShow More⌵

Mol. Formula:
C32H34N2O5

M.W.:
526.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3613344

Name:
(E/Z)-[5-(4-{2-[(biphenyl-4-carbonyl)amino]ethylcarbamoyl}phenoxy)adamantanShow More⌵

Mol. Formula:
C34H36N2O5

M.W.:
552.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3613343

Name:
(E/Z)-[5-(4-{2-[(naphthalene-2-carbonyl)amino]ethylcarbamoyl}phenoxy)adamanShow More⌵

Mol. Formula:
C32H34N2O5

M.W.:
526.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3613342

Name:
(E/Z)-4-(4-{2-[(1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)amino]-etShow More⌵

Mol. Formula:
C31H31F3N4O5

M.W.:
596.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
122.55

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3613341

Name:
(E/Z)-4-(4-{2-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]ethylcarShow More⌵

Mol. Formula:
C31H30F3N3O6

M.W.:
597.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
130.76

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3613340

Name:
(E/Z)-4-(4-{2-[(biphenyl-4-arbonyl)amino]ethylcarbamoyl}phenoxy)adamantane-Show More⌵

Mol. Formula:
C33H34N2O5

M.W.:
538.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3613339

Name:
(E/Z)-4-(4-{2-[(naphthalene-2-carbonyl)amino]ethylcarbamoyl}phenoxy)adamantShow More⌵

Mol. Formula:
C31H32N2O5

M.W.:
512.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3613338

Name:
(E/Z)-4-[4-(2-Benzoylaminoethylcarbamoyl)phenoxy]adamantane-1-carboxylic acShow More⌵

Mol. Formula:
C27H30N2O5

M.W.:
462.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
104.73

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS