Compounds

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
53.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4593100

Name:
N-3-Pyridyl-N'-{1-(4-chloropyridin-2-yl)piperidin-4-yl}thiourea

Mol. Formula:
C16H18ClN5S

M.W.:
347.88

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
53.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4592175

Name:
N-3-Pyridyl-N'-(1-[3-trifluoromethyl-4-{4-(trifluoromethoxy)phenoxy}pyridinShow More⌵

Mol. Formula:
C24H21F6N5O2S

M.W.:
557.52

Type:
Unknown

AlogP:
6.14

Polar Surface Area:
71.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4591645

Name:
N-3-Pyridyl-N'-[3-N''-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}aminobutan-Show More⌵

Mol. Formula:
C16H17ClF3N5S

M.W.:
403.86

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
61.87

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4590567

Name:
1,3-Dioxo-7-(4-phenoxybenzoyl)hexahydroimidazo[1,5-a]-pyrazine-2(3H)-yl 4-(Show More⌵

Mol. Formula:
C31H31N5O7

M.W.:
585.62

2 unique targets

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
112.17

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4590040

Name:
N-3-Pyridyl-N'-[1-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}pyrrolidin-3-ylShow More⌵

Mol. Formula:
C16H15ClF3N5S

M.W.:
401.85

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
53.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4587861

Name:
N-3-Pyridyl-N'-(1-[3-chloro-4-{2-(trifluoromethoxy)phenoxy}pyridine-2-yl]piShow More⌵

Mol. Formula:
C23H21ClF3N5O2S

M.W.:
523.97

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
71.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4585499

Name:
(R)-N-3-Pyridyl-N'-(1-[3-chloro-4-{3-chloro-4-(trifluoromethoxy)phenoxy}pyrShow More⌵

Mol. Formula:
C23H20Cl2F3N5O2S

M.W.:
558.41

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
71.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4585394

Name:
N-3-Pyridyl-N'-methyl-N'-[1-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}piperShow More⌵

Mol. Formula:
C18H19ClF3N5S

M.W.:
429.90

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
44.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4578304

Name:
N-3-Pyridyl-N'-{1-(5-trifluoromethylpyridin-2-yl)piperidin-4-yl}thiourea

Mol. Formula:
C17H18F3N5S

M.W.:
381.43

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
53.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4573670

Name:
N-3-Pyridyl-N'-[1-{3-chloro-5-(methyl)pyridin-2-yl}-piperidin-4-yl]thiourea

Mol. Formula:
C17H20ClN5S

M.W.:
361.90

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
53.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4572501

Name:
N-3-Pyridyl-N'-[1-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}-piperidin-3-ylShow More⌵

Mol. Formula:
C17H17ClF3N5S

M.W.:
415.87

Type:
Unknown

AlogP:
4.10

Polar Surface Area:
53.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4572345

Name:
N-3-Pyridyl-N'-[3-N''-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}aminopentanShow More⌵

Mol. Formula:
C17H19ClF3N5S

M.W.:
417.89

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
61.87

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4572043

Name:
N-3-Pyridyl-N'-[1-{4-(cyclohexyloxy)pyridin-2-yl}piperidin-4-yl]thiourea

Mol. Formula:
C22H29N5OS

M.W.:
411.58

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
62.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4569557

Name:
N-3-Pyridyl-N'-[1-{4-(4-fluorophenyloxy)pyridin-2-yl}piperidin-4-yl]thioureShow More⌵

Mol. Formula:
C22H22FN5OS

M.W.:
423.52

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
62.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4567616

Name:
N-3-Pyridyl-N'-(1-[3-chloro-4-{4-(trifluoromethoxy)phenoxy}pyridine-2-yl]piShow More⌵

Mol. Formula:
C23H21ClF3N5O2S

M.W.:
523.97

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
71.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4564456

Name:
N-3-Pyridyl-N'-[3-N''-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}aminopropanShow More⌵

Mol. Formula:
C15H15ClF3N5S

M.W.:
389.83

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
61.87

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4561463

Name:
N-3-Pyridyl-N'-[1-{4-(4-methoxyphenyloxy)pyridin-2-yl}piperidin-4-yl]thiourShow More⌵

Mol. Formula:
C23H25N5O2S

M.W.:
435.55

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
71.54

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4556258

Name:
N-3-Pyridyl-N'-[1-{3-chloro-5-(trifluoromethyl)pyridin-2-yl}piperidin-4-yl]Show More⌵

Mol. Formula:
C17H17ClF3N5O

M.W.:
399.80