Compounds

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
83.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3983087

Name:
(2Z,5Z)-2-((4-Ethylphenyl)imino)-3-methyl-5-((2-(phenylamino)-pyridin-4-yl)Show More⌵

Mol. Formula:
C24H22N4OS

M.W.:
414.53

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
57.59

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3977678

Name:
trans-4-(3-chlorophenoxy)-1-((6-(1,3-thiazol-2-ylamino)pyridin-2-yl)methyl)Show More⌵

Mol. Formula:
C22H23Cl2N3O3S

M.W.:
480.42

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
84.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3976822

Name:
trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1H-pyrazol-3-ylamino)pyridin-2-ylShow More⌵

Mol. Formula:
C22H23ClFN5O2

M.W.:
443.91

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
105.92

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3966740

Name:
trans-4-(2-fluoro-3-(trifluorometh-yl)phenoxy)-1-((6-(1H-pyrazol-3-ylamino)Show More⌵

Mol. Formula:
C25H23F7N4O5

M.W.:
592.47

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
100.13

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3966216

Name:
5-(trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1H-pyrazol-3-ylamino)pyridin-2Show More⌵

Mol. Formula:
C23H22ClFN6O3

M.W.:
484.92

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
121.72

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3964756

Name:
6-((trans-4-(2-fluoro-3-(trifluorometh-yl)phenoxy)-1-(5-imino-4,5-dihydro-1Show More⌵

Mol. Formula:
C26H24F7N7O4

M.W.:
631.51

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
128.50

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3964452

Name:
5-(trans-4-(2-fluoro-3-(trifluorometh-yl)phenoxy)-1-((6-(1H-pyrazol-3-ylamiShow More⌵

Mol. Formula:
C24H22F4N6O3

M.W.:
518.47

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
121.72

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3955990

Name:
6-((trans-4-(2-fluoro-3-(trifluorometh-yl)phenoxy)-1-(1,3,4-oxadiazol-2-yl)Show More⌵

Mol. Formula:
C24H22F4N6O2

M.W.:
502.47

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
101.75

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3951333

Name:
trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1,3-thiazol-2-ylamino)pyridin-2-yShow More⌵

Mol. Formula:
C22H22Cl2FN3O3S

M.W.:
498.41

5 activity values

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
84.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3948611

Name:
trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1H-pyrazol-3-ylamino)pyrazin-2-ylShow More⌵

Mol. Formula:
C21H22ClFN6O2

M.W.:
444.90

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
118.81

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3941969

Name:
trans-4-(3-chloro-2-fluorophenoxy)-N-methoxy-1-((6-(1,3-thiazol-2-ylamino)pShow More⌵

Mol. Formula:
C23H24ClFN4O3S

M.W.:
490.99

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
85.37

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3939277

Name:
6-((trans-4-(3-chloro-2-fluorophenoxy)-1-(2H-tetrazol-5-yl)cyclohexyl)methyShow More⌵

Mol. Formula:
C24H23ClF4N8O3

M.W.:
582.95

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
117.29

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3936303

Name:
trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1H-pyrazol-3-ylamino)pyridin-2-ylShow More⌵

Mol. Formula:
C22H21ClFN5O

M.W.:
425.89

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
86.62

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3930205

Name:
trans-1-((6-(1,3-thiazol-2-ylamino)pyridin-2-yl)methyl)-4-(3-(trifluoromethShow More⌵

Mol. Formula:
C23H23ClF3N3O3S

M.W.:
513.97

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
84.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3929632

Name:
trans-4-(3-chloro-2-fluorophenoxy)-1-((6-(1H-pyrazol-3-ylamino)pyridin-2-ylShow More⌵

Mol. Formula:
C24H23ClF4N4O5

M.W.:
558.92

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
100.13

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3923139

Name:
trans-4-(2-fluoro-3-(trifluorometh-yl)phenoxy)-1-((6-(1,3-thiazol-2-ylaminoShow More⌵

Mol. Formula:
C23H22ClF4N3O3S

M.W.:
531.96

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
84.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3915221

Name:
trans-4-(2,3-dichlorophenoxy)-1-((6-(1,3-thiazol-2-ylamino)pyridin-2-yl)metShow More⌵

Mol. Formula:
C22H22Cl3N3O3S

M.W.:
514.86

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
84.34

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3913242

Name:
(2Z,5Z)-2-((4-Ethylphenyl)imino)-3-methyl-5-((2-(pyridin-2-ylamino)pyridin-Show More⌵

Mol. Formula:
C23H21N5OS

M.W.:
415.52

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
70.48

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3897985

Name:
trans-4-(2,3-difluorophenoxy)-1-((6-(1,3-thiazol-2-ylamino)pyridin-2-yl)metShow More⌵

Mol. Formula:
C22H22ClF2N3O3S

M.W.:
481.95