Compounds

ALA4791054

Name:
6-Methyl-2-(3-(2-(trifluoromethyl)phenoxy)azetidin-1-yl)-pyrimidine-4-carboShow More⌵

Mol. Formula:
C16H14F3N3O3

M.W.:
353.30

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4789989

Name:
(+/-)-2-(3-((3,5-Bis(trifluoromethyl)phenoxy)methyl)pyrrolidin-1-yl)-6-methShow More⌵

Mol. Formula:
C19H17F6N3O3

M.W.:
449.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4786892

Name:
(+/-)-6-Methyl-2-(3-(((4-(trifluoromethyl)pyridin-3-yl)oxy)methyl)-pyrrolidShow More⌵

Mol. Formula:
C17H17F3N4O3

M.W.:
382.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
88.44

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4784583

Name:
(+/-)-2-(3-((2-(Trifluoromethyl)phenoxy)methyl)pyrrolidin-1-yl)-nicotinic AShow More⌵

Mol. Formula:
C18H17F3N2O3

M.W.:
366.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4783169

Name:
(+/-)-6-Methyl-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)-pyrimidineShow More⌵

Mol. Formula:
C17H16F3N3O3

M.W.:
367.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4782306

Name:
(+/-)-2-(3-((2-Fluoro-6-(trifluoromethyl)phenoxy)methyl)-pyrrolidin-1-yl)-6Show More⌵

Mol. Formula:
C18H17F4N3O3

M.W.:
399.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4780787

Name:
(+/-)-2-(3-((2-Cyclohexylphenoxy)methyl)pyrrolidin-1-yl)-6-methylpyrimidineShow More⌵

Mol. Formula:
C23H29N3O3

M.W.:
395.50

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4776400

Name:
(+/-)-4-Methyl-6-(2H-tetrazol-5-yl)-2-(3-((2-(trifluoromethyl)-phenoxy)methShow More⌵

Mol. Formula:
C18H18F3N7O

M.W.:
405.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.89

Polar Surface Area:
92.71

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4763253

Name:
6-methyl-2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)pyrimidine-4-carboShow More⌵

Mol. Formula:
C18H18F3N3O3

M.W.:
381.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4762942

Name:
(+/-)-2-(3-((2-Cyclopentylphenoxy)methyl)pyrrolidin-1-yl)-6-methylpyrimidinShow More⌵

Mol. Formula:
C22H27N3O3

M.W.:
381.48

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4761230

Name:
(+/-)-2-(3-((5-Fluoro-2-(trifluoromethyl)phenoxy)methyl)-pyrrolidin-1-yl)-6Show More⌵

Mol. Formula:
C18H17F4N3O3

M.W.:
399.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4761138

Name:
(+/-)-4-Methyl-6-(3-((2-(trifluoromethyl)phenoxy)methyl)-pyrrolidin-1-yl)piShow More⌵

Mol. Formula:
C19H19F3N2O3

M.W.:
380.37

3 activity values

2 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
62.66

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4761007

Name:
(+/-)-6-Methyl-2-(3-((2-(trifluoromethyl)benzyl)oxy)pyrrolidin-1-yl)pyrimidShow More⌵

Mol. Formula:
C18H18F3N3O3

M.W.:
381.35

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4759728

Name:
(+/-)-6-Methyl-2-(3-(((2-(trifluoromethyl)pyridin-3-yl)oxy)methyl)-pyrrolidShow More⌵

Mol. Formula:
C17H17F3N4O3

M.W.:
382.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
88.44

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4759603

Name:
6-methyl-2-(3-((2-(trifluoromethyl)-phenoxy)methyl)azetidin-1-yl)pyrimidineShow More⌵

Mol. Formula:
C17H16F3N3O3

M.W.:
367.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.02

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4759066

Name:
(+/-)-6-Methyl-2-(3-((2-(trifluoromethyl)phenoxy)methyl)-pyrrolidin-1-yl)pyShow More⌵

Mol. Formula:
C18H19F3N4O2

M.W.:
380.37

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
81.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4755863

Name:
(+/-)-N-Cyclopropyl-6-methyl-2-(3-((2-(trifluoromethyl)phenoxy)-methyl)pyrrShow More⌵

Mol. Formula:
C21H23F3N4O2

M.W.:
420.44

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4755495

Name:
(+/-)-6-Methyl-2-(3-(((2-(trifluoromethyl)phenyl)amino)methyl)-pyrrolidin-1Show More⌵

Mol. Formula:
C18H19F3N4O2

M.W.:
380.37

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
78.35

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4754829

Name:
(+/-)-2-(3-((2-(Trifluoromethyl)phenoxy)methyl)pyrrolidin-1-yl)-pyrimidine-Show More⌵

Mol. Formula:
C17H16F3N3O3

M.W.:
367.33

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4754017

Name:
(+/-)-6-Methyl-2-(3-((2-(trifluoromethyl)phenoxy)methyl)-piperidin-1-yl)pyrShow More⌵

Mol. Formula:
C19H20F3N3O3

M.W.:
395.38

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
75.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS