Compounds

Type:
Unknown

AlogP:
6.50

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4752318

Name:
3'-((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)bShow More⌵

Mol. Formula:
C30H30O4

M.W.:
454.57

2 activity values

Type:
Unknown

AlogP:
6.79

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4586203

Name:
7-(4-fluorophenyl)-2-(2-(pyridine-4-yl)ethyl)pyrazolo[1,5-a]pyrimidine-5-caShow More⌵

Mol. Formula:
C20H16FN5O

M.W.:
361.38

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
86.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4585786

Name:
7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridineShow More⌵

Mol. Formula:
C19H15FN4O2S

M.W.:
382.42

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
83.03

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4584801

Name:
7-(4-fluorophenyl)-2-[2-(3-pyridyl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxShow More⌵

Mol. Formula:
C20H16FN5O

M.W.:
361.38

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
86.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4580695

Name:
2-[(2-methylpyrimidin-5-yl)oxymethyl]-7-[4-(trideuteriomethoxy)phenyl]thienShow More⌵

Mol. Formula:
C21H18N4O3S

M.W.:
409.49

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
100.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4579281

Name:
2-[(2,6-dimethyl-3-pyridyl)oxymethyl]-7-(4-fluorophenyl)thieno[3,2-b]pyridiShow More⌵

Mol. Formula:
C22H18FN3O2S

M.W.:
407.47

5 activity values

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
78.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4578758

Name:
7-(4-fluorophenyl)-2-[(2-methyl-3-pyridyl)oxymethyl]thieno[3,2-b]pyridine-5Show More⌵

Mol. Formula:
C21H16FN3O2S

M.W.:
393.44

5 activity values

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
78.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4575990

Name:
7-(4-fluorophenyl)-2-(2-(2-(trifluoromethyl)pyridin-4-yl)ethyl)pyrazolo[1,5Show More⌵

Mol. Formula:
C21H15F4N5O

M.W.:
429.38

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
86.17

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4569114

Name:
7-(2-fluoro-4-methoxyphenyl)-2-(((2-(trifluoromethyl)pyridin-4-yl)oxy)methyShow More⌵

Mol. Formula:
C21H15F4N5O3

M.W.:
461.38

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
104.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4567504

Name:
7-(4-fluorophenyl)-2-(((2-methylpyridin-4-yl)oxy)methyl)pyrazolo[1,5-a]pyriShow More⌵

Mol. Formula:
C20H16FN5O2

M.W.:
377.38

2 activity values

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
95.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4563286

Name:
7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboShow More⌵

Mol. Formula:
C19H13FN4O2S

M.W.:
380.40

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
90.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4563183

Name:
2-[(4,4-difluoro-1-piperidyl)methyl]-7-(4-fluorophenyl)thieno[3,2-b]pyridinShow More⌵

Mol. Formula:
C20H18F3N3OS

M.W.:
405.45

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
59.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4557272

Name:
7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridiShow More⌵

Mol. Formula:
C20H15FN4O2S

M.W.:
394.43

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
90.99

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4550517

Name:
7-(2-fluoro-4-methoxyphenyl)-2-(((2-methylpyridin-4-yl)oxy)methyl)pyrazolo[Show More⌵

Mol. Formula:
C21H18FN5O3

M.W.:
407.41

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
104.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4550009

Name:
7-(2,4-difluorophenyl)-2-[[2-(trifluoromethyl)-4-pyridyl]oxymethyl]pyrazoloShow More⌵

Mol. Formula:
C20H12F5N5O2

M.W.:
449.34

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
95.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4549344

Name:
7-(2-fluoro-4-methoxyphenyl)-2-(((6-(trifluoromethyl)pyridin-3-yl)oxy)methyShow More⌵

Mol. Formula:
C21H15F4N5O3

M.W.:
461.38

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
104.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4547431

Name:
7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxaShow More⌵

Mol. Formula:
C19H18FN3OS

M.W.:
355.44

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
59.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4541942

Name:
7-(4-fluorophenyl)-2-[(6-methyl-3-pyridyl)oxymethyl]thieno[3,2-b]pyridine-5Show More⌵

Mol. Formula:
C21H16FN3O2S

M.W.:
393.44

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
78.10

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4533083

Name:
2-(((2-bromopyridin-4-yl)oxy)methyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimShow More⌵

Mol. Formula:
C19H13BrFN5O2

M.W.:
442.25