Compounds

6 unique targets

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
68.84

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3962858

Name:
(2-chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyridin-2-yl)-4-methyl-3a,4Show More⌵

Mol. Formula:
C20H15ClF4N4O

M.W.:
438.81

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3960075

Name:
(2-Chloro-3-(trifluoromethyl)phenyl)(4-methyl-1-(pyridin-2-yl)-6,7-dihydro-Show More⌵

Mol. Formula:
C20H16ClF3N4O

M.W.:
420.82

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3955145

Name:
(R)-(2-Chloro-3-(trifluoromethyl)phenyl)(4-methyl-1-(pyridin-2-yl)-6,7-dihyShow More⌵

Mol. Formula:
C20H16ClF3N4O

M.W.:
420.82

19 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3923509

Name:
US9464084, 43

Mol. Formula:
C20H16F4N4O

M.W.:
404.37

3 activity values

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3914545

Name:
(2-Chloro-3-(trifluoromethyl)phenyl)(1-(4-fluorophenyl)-4-methyl-6,7-dihydrShow More⌵

Mol. Formula:
C21H16ClF4N3O

M.W.:
437.82

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3913899

Name:
(2-Chloro-3-(trifluoromethyl)phenyl)(1-(3-fluoropyridin-2-yl)-4-methyl-6,7-Show More⌵

Mol. Formula:
C20H15ClF4N4O

M.W.:
438.81

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3911413

Name:
(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-6,Show More⌵

Mol. Formula:
C19H14ClF4N5O

M.W.:
439.80

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3910372

Name:
(2-Chloro-3-(trifluoromethyl)phenyl)(4-methyl-1-(pyrimidin-2-yl)-6,7-dihydrShow More⌵

Mol. Formula:
C19H15ClF3N5O

M.W.:
421.81

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3904907

Name:
(R)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(4-fluorophenyl)-4-methyl-6,7-diShow More⌵

Mol. Formula:
C21H16ClF4N3O

M.W.:
437.82

19 activity values

12 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3901705

Name:
(R)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyShow More⌵

Mol. Formula:
C19H14ClF4N5O

M.W.:
439.80

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3901310

Name:
(2-Chloro-3-(trifluoromethyl)phenyl)(4-methyl-1-phenyl-6,7-dihydro-1H-imidaShow More⌵

Mol. Formula:
C21H17ClF3N3O

M.W.:
419.83

8 activity values

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3898553

Name:
(2-chloro-3-(trifluoromethyl)phenyl)(4-methyl-1-(pyrazin-2-yl)-3a,4-dihydroShow More⌵

Mol. Formula:
C19H15ClF3N5O

M.W.:
421.81

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
63.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3697549

Name:
US9102686, 59

Mol. Formula:
C19H15ClF3N5OS

M.W.:
453.88

3 activity values

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3697546

Name:
US9102686, 56

Mol. Formula:
C19H15ClF3N5OS

M.W.:
453.88

3 activity values

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3697544

Name:
US9102686, 54

Mol. Formula:
C17H12Cl2FN5OS

M.W.:
424.29

4 activity values

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3697543

Name:
US9102686, 53

Mol. Formula:
C19H16F3N5OS

M.W.:
419.43

4 activity values

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
63.91

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3697541

Name:
US9102686, 51

Mol. Formula:
C19H16ClF3N6O

M.W.:
436.83

4 activity values