Compounds

ALA4590521

Name:
5-((4-chlorophenyl)carbamoyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-cShow More⌵

Mol. Formula:
C15H15ClN4O3

M.W.:
334.76

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
87.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4578218

Name:
N-cyclohexyl-3-((3,5-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahydro-5HShow More⌵

Mol. Formula:
C21H26F2N4O2

M.W.:
404.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4577192

Name:
3-((3,5-Difluorophenoxy)methyl)-N-(4-(dimethylamino)phenyl)-1-methyl-1,4,6,Show More⌵

Mol. Formula:
C23H25F2N5OS

M.W.:
457.55

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
45.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4576357

Name:
3-((3,5-difluorophenoxy)methyl)-N-isopropyl-1-methyl-1,4,6,7-tetrahydro-5H-Show More⌵

Mol. Formula:
C18H22F2N4O2

M.W.:
364.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4575750

Name:
N-benzoyl-3-((3,5-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyShow More⌵

Mol. Formula:
C22H20F2N4O3

M.W.:
426.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
76.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4571849

Name:
N-cyclohexyl-3-((3,5-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahydro-5HShow More⌵

Mol. Formula:
C21H26F2N4OS

M.W.:
420.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
42.32

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4546564

Name:
N-(4-bromophenyl)-3-((3,5-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahydShow More⌵

Mol. Formula:
C21H19BrF2N4O2

M.W.:
477.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4546431

Name:
N-(4-chlorophenyl)-3-((3,5-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahyShow More⌵

Mol. Formula:
C21H19ClF2N4OS

M.W.:
448.93

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.69

Polar Surface Area:
42.32

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4529094

Name:
5-(4-chlorophenylsulfonyl)-3-((3,5-difluorophenoxy)methyl)-1-methyl-4,5,6,7Show More⌵

Mol. Formula:
C20H18ClF2N3O3S

M.W.:
453.90

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4474736

Name:
N-(4-chlorophenyl)-3-((3-fluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahydro-Show More⌵

Mol. Formula:
C21H20ClFN4O2

M.W.:
414.87

40 activity values

8 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4466170

Name:
N-(4-chlorophenyl)-3-((3,5-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahyShow More⌵

Mol. Formula:
C21H19ClF2N4O2

M.W.:
432.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4446784

Name:
N-(4-chlorophenyl)-3-((3,4-difluorophenoxy)methyl)-1-methyl-1,4,6,7-tetrahyShow More⌵

Mol. Formula:
C21H19ClF2N4O2

M.W.:
432.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4445120

Name:
Ethyl 5-((4-chlorophenyl)carbamoyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazoloShow More⌵

Mol. Formula:
C17H19ClN4O3

M.W.:
362.82

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
76.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4444793

Name:
3-((3,5-difluorophenoxy)methyl)-N,N-diethyl-1-methyl-1,4,6,7-tetrahydro-5H-Show More⌵

Mol. Formula:
C18H24F2N4O3S

M.W.:
414.48

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
67.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4444063

Name:
3-((3,5-Difluorophenoxy)methyl)-1-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahyShow More⌵

Mol. Formula:
C15H17F2N3O3S

M.W.:
357.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4436619

Name:
3-((3,5-Difluorophenoxy)methyl)-1-methyl-5-((4-(trifluoromethyl)phenyl)sulfShow More⌵

Mol. Formula:
C21H18F5N3O3S

M.W.:
487.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4435424

Name:
N-(4-chlorophenyl)-1-methyl-3-((3,4,5-trifluorophenoxy)methyl)-1,4,6,7-tetrShow More⌵

Mol. Formula:
C21H18ClF3N4O2

M.W.:
450.85

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
59.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS