Compounds

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
107.03

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4584756

Name:
4-Hydroxy-3-[1-(pyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-1,4,5,7-teShow More⌵

Mol. Formula:
C17H18F3N5O2

M.W.:
381.36

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4581249

Name:
3-{1-[5-(Difluoromethoxy)pyridin-2-yl]piperidin-4-yl}-4-hydroxy-4-(trifluorShow More⌵

Mol. Formula:
C18H18F5N5O3

M.W.:
447.36

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
103.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4580491

Name:
4-Hydroxy-3-[1-(5-methoxypyridin-3-yl)piperidin-4-yl]-4-(trifluoromethyl)-1Show More⌵

Mol. Formula:
C18H20F3N5O3

M.W.:
411.38

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
103.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4580022

Name:
3-[1-(5-Fluoropyridin-2-yl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-1,Show More⌵

Mol. Formula:
C17H17F4N5O2

M.W.:
399.35

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4578456

Name:
4-Hydroxy-3-[1-(6-methoxypyridin-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-1Show More⌵

Mol. Formula:
C18H20F3N5O3

M.W.:
411.38

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
103.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4577479

Name:
(+)-cis-5-Hydroxy-4-(trifluoromethyl)-3-{1-[6-(trifluoromethyl)pyridazin-3-Show More⌵

Mol. Formula:
C17H16F6N6O2

M.W.:
450.34

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
107.03

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4576610

Name:
4-Hydroxy-4-(trifluoromethyl)-3-{1-[4-(trifluoromethyl)pyridin-2-yl]piperidShow More⌵

Mol. Formula:
C18H17F6N5O2

M.W.:
449.36

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4575561

Name:
Methyl 2-{4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyraShow More⌵

Mol. Formula:
C20H19F6N5O4

M.W.:
507.39

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
120.44

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4573330

Name:
2-{4-[4-Hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,Show More⌵

Mol. Formula:
C18H17F3N6O2

M.W.:
406.37

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
117.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4571872

Name:
5-{4-[4-Hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,Show More⌵

Mol. Formula:
C18H17F3N6O2

M.W.:
406.37

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
117.93

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4571766

Name:
(+)-4,5-Dihydroxy-4-(trifluoromethyl)-3-{1-[5-(trifluoromethyl)pyrazin-2-ylShow More⌵

Mol. Formula:
C17H18F6N6O4

M.W.:
484.36

2 activity values

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
127.26

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4569673

Name:
4-Hydroxy-3-{1-[5-(propan-2-yloxy)pyridin-2-yl]piperidin-4-yl}-4-(trifluoroShow More⌵

Mol. Formula:
C20H24F3N5O3

M.W.:
439.44

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
103.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4567835

Name:
3-[1-(5-Chloropyridin-2-yl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-1,Show More⌵

Mol. Formula:
C17H17ClF3N5O2

M.W.:
415.80

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4567833

Name:
4,5-Dihydroxy-4-(trifluoromethyl)-3-{1-[5-(trifluoromethyl)pyridin-2-yl]pipShow More⌵

Mol. Formula:
C18H17F6N5O3

M.W.:
465.35

3 activity values

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
114.37

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4567290

Name:
4-Hydroxy-4-(trifluoromethyl)-3-{1-[6-(trifluoromethyl)pyridin-2-yl]piperidShow More⌵

Mol. Formula:
C18H17F6N5O2

M.W.:
449.36

2 activity values

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4567145

Name:
(+)-cis-5-Hydroxy-3-[1-(6-isopropoxypyridazin-3-yl)piperidin-4-yl]-4-(triflShow More⌵

Mol. Formula:
C19H23F3N6O3

M.W.:
440.43

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
116.26

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4567002

Name:
4-Hydroxy-4-(trifluoromethyl)-3-{1-[5-(trifluoromethyl)pyrimidin-2-yl]piperShow More⌵

Mol. Formula:
C17H16F6N6O2

M.W.:
450.34

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
107.03

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4565889

Name:
4-Hydroxy-4-(trifluoromethyl)-3-{1-[5-(trifluoromethyl)pyrazin-2-yl]piperidShow More⌵

Mol. Formula:
C17H16F6N6O2

M.W.:
450.34

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
107.03

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4565710

Name:
cis-5-hydroxy-3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]-4-(trifluoromethShow More⌵

Mol. Formula:
C22H21F3N6O2

M.W.:
458.44