Compounds

Type:
---

AlogP:
1.82

Polar Surface Area:
109.70

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5203547

Name:
1-(5-Difluoromethoxy-2-fluoro-phenyl)-3-(2-hydroxy-1,2-dimethyl-propyl)-2-oShow More⌵

Mol. Formula:
C24H26F3N3O6S

M.W.:
541.55

Type:
---

AlogP:
2.78

Polar Surface Area:
119.63

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5202996

Name:
6-Fluoro-1-(2-fluoro-5-trifluoromethoxy-phenyl)-3-(2-hydroxy-1,2-dimethyl-pShow More⌵

Mol. Formula:
C26H28F5N3O6S

M.W.:
605.58

Type:
---

AlogP:
4.00

Polar Surface Area:
119.63

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5202498

Name:
(R)-2-(5-(3-ethoxypyridin-2-yloxy)pyridin-3-yl)-N-(tetrahydrofuran-3-yl)pyrShow More⌵

Mol. Formula:
C21H21N5O4

M.W.:
407.43

Type:
---

AlogP:
2.64

Polar Surface Area:
108.35

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5194578

Name:
1-[5-(2,2-Difluoro-ethoxy)-2-fluoro-phenyl]-6-fluoro-3-(2-hydroxy-1,2-dimetShow More⌵

Mol. Formula:
C27H31F4N3O6S

M.W.:
601.62

Type:
---

AlogP:
3.74

Polar Surface Area:
119.63

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5190860

Name:
(R)-2-(3-(2-ethoxyphenoxy)piperidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)Show More⌵

Mol. Formula:
C22H30N4O4

M.W.:
414.51

Type:
---

AlogP:
2.42

Polar Surface Area:
96.81

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5188261

Name:
2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-N-(2-methyl-1-(methylsulfonylShow More⌵

Mol. Formula:
C22H25N5O5S

M.W.:
471.54

Type:
---

AlogP:
2.68

Polar Surface Area:
133.26

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5188169

Name:
1-(3-Difluoromethoxy-phenyl)-3-(2-hydroxy-1,2-dimethyl-propyl)-2-oxo-2,3-diShow More⌵

Mol. Formula:
C26H31F2N3O6S

M.W.:
551.61

Type:
---

AlogP:
3.42

Polar Surface Area:
119.63

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5184213

Name:
1-(3-Difluoromethoxy-phenyl)-3-(4-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzoShow More⌵

Mol. Formula:
C25H20F3N3O5S

M.W.:
531.51

Type:
---

AlogP:
3.44

Polar Surface Area:
99.40

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5183303

Name:
rac-N-(1,1-Dioxidotetrahydrothiophen-3-yl)-2-(5-((3-ethoxypyridin-2-yl)oxy)Show More⌵

Mol. Formula:
C21H21N5O5S

M.W.:
455.50

Type:
---

AlogP:
2.04

Polar Surface Area:
133.26

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5179535

Name:
(R)-3-((2-(3-(2-ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxamido)methyShow More⌵

Mol. Formula:
C26H28N4O5

M.W.:
476.53

5 activity values

Type:
---

AlogP:
3.55

Polar Surface Area:
113.88

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5179522

Name:
1-(5-Difluoromethoxy-2-fluoro-phenyl)-3-(2-hydroxy-1,2-dimethyl-propyl)-2-oShow More⌵

Mol. Formula:
C26H30F3N3O6S

M.W.:
569.60

Type:
---

AlogP:
3.56

Polar Surface Area:
119.63

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5176366

Name:
rac-2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-N-(tetrahydro-2H-pyran-3-Show More⌵

Mol. Formula:
C22H23N5O4

M.W.:
421.46

Type:
---

AlogP:
3.03

Polar Surface Area:
108.35

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5176043

Name:
2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-N-ethylpyrimidine-5-carboxamiShow More⌵

Mol. Formula:
C19H19N5O3

M.W.:
365.39

Type:
---

AlogP:
2.87

Polar Surface Area:
99.12

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5173066

Name:
rac-2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-N-(1-methyl-5-oxopyrrolidShow More⌵

Mol. Formula:
C22H22N6O4

M.W.:
434.46

Type:
---

AlogP:
2.09

Polar Surface Area:
119.43

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5172773

Name:
2-(5-(3-ethoxypyridin-2-yloxy)pyridin-3-yl)-N-(3-(hydroxymethyl)tetrahydrofShow More⌵

Mol. Formula:
C22H23N5O5

M.W.:
437.46

8 activity values

Type:
---

AlogP:
2.01

Polar Surface Area:
128.58

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5171697

Name:
2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-N-(tetrahydro-2H-pyran-4-yl)pShow More⌵

Mol. Formula:
C22H23N5O4

M.W.:
421.46

Type:
---

AlogP:
3.03

Polar Surface Area:
108.35

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4877520

Name:
2-(5-(3-ethoxy-5-fluoropyridin-2-yloxy)pyridin-3-yl)-N-((3S,5S)-5-fluoropipShow More⌵

Mol. Formula:
C22H22F2N6O3

M.W.:
456.45

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
111.15

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4875314

Name:
2-(5-(3-ethoxypyridin-2-yloxy)pyridin-3-yl)-N-((3S,5S)-5-fluoropiperidin-3-Show More⌵

Mol. Formula:
C22H23FN6O3

M.W.:
438.46

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
111.15

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4873964

Name:
(S)-N-(5,5-difluoropiperidin-3-yl)-2-(5-(3-ethoxypyridin-2-yloxy)pyridin-3-Show More⌵

Mol. Formula:
C22H22F2N6O3

M.W.:
456.45