Compounds

1 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
91.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4879107

Name:
N2-(5-(4-Aminophenyl)pyridin-2-yl)-5-chloro-N4-(3-
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Mol. Formula:
C22H16ClF3N6

M.W.:
456.86

Type:
Unknown

AlogP:
6.28

Polar Surface Area:
88.75

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4878972

Name:
5-Chloro-N2-(4-(trifluoromethoxy)phenyl)-N4-(3-(tr
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Mol. Formula:
C18H11ClF6N4O

M.W.:
448.75

Type:
Unknown

AlogP:
6.53

Polar Surface Area:
59.07

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4878722

Name:
5-Chloro-N2-phenyl-N4-(m-tolyl)pyrimidine-2,4-diam
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Mol. Formula:
C17H15ClN4

M.W.:
310.79

Type:
Unknown

AlogP:
4.93

Polar Surface Area:
49.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4878148

Name:
N2-(4-(tert-Butyl)phenyl)-5-chloro-N4-(3-trifluoro
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Mol. Formula:
C21H20ClF3N4

M.W.:
420.87

Type:
Unknown

AlogP:
6.93

Polar Surface Area:
49.84

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4877299

Name:
(2S,3aR,6aS)-N-((S)-1-cyano-2-(4'-cyanobiphenyl-4-
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Mol. Formula:
C24H24N4O

M.W.:
384.48

5 activity values

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
88.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4876996

Name:
(2S,3aR)-N-((S)-1-cyano-2-(4'-cyanobiphenyl-4-yl)e
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Mol. Formula:
C25H26N4O

M.W.:
398.51

1 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
88.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4876934

Name:
5-Chloro-N2-(pyridin-3-yl)-N4-(3-(trifluoromethyl)
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Mol. Formula:
C16H11ClF3N5

M.W.:
365.75

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4876855

Name:
5-Chloro-N2-(4-isopropylphenyl)-N4-(3-(trifluorome
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Mol. Formula:
C20H18ClF3N4

M.W.:
406.84

Type:
Unknown

AlogP:
6.76

Polar Surface Area:
49.84

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4876235

Name:
5-Chloro-N2-(pyrimidin-5-yl)-N4-(3-(trifluoromethy
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Mol. Formula:
C15H10ClF3N6

M.W.:
366.73

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
75.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4875918

Name:
5-Chloro-N2-(pyridazin-3yl)-N4-(3-(trifluoromethyl
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Mol. Formula:
C15H10ClF3N6

M.W.:
366.73

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
75.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4875913

Name:
5-Chloro-N2-(6-(4-methylpiperazin-1-yl)pyridin-3-y
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Mol. Formula:
C21H21ClF3N7

M.W.:
463.90

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
69.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4875554

Name:
(S)-N-((S)-1-cyano-2-(4'-cyanobiphenyl-4-yl)ethyl)
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Mol. Formula:
C25H26N4O

M.W.:
398.51

6 activity values

3 unique targets

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
88.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4875426

Name:
N2-(5-(4-Aminopiperidin-1-yl)pyridin-2-yl)-5-chlor
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Mol. Formula:
C21H21ClF3N7

M.W.:
463.90

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
91.99

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4875307

Name:
5-Fluoro-N2-(5-(thiophen-3-yl)pyridin-2-yl)-N4-(3-
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Mol. Formula:
C20H13F4N5S

M.W.:
431.42

7 activity values

Type:
Unknown

AlogP:
6.25

Polar Surface Area:
62.73

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4875086

Name:
5-Chloro-N2-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-2
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Mol. Formula:
C20H15ClF3N7

M.W.:
445.84

Type:
Unknown

AlogP:
5.43

Polar Surface Area:
80.55

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4873859

Name:
4-((5-Chloro-4-((3-(trifluoromethyl)phenyl)amino)-
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Mol. Formula:
C19H15ClF3N5O

M.W.:
421.81

Type:
Unknown

AlogP:
5.59

Polar Surface Area:
78.94

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4873553

Name:
tert-Butyl 4-(6((5-chloro-4-((3-(trifluoromethyl)p
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Mol. Formula:
C20H19ClF3N7

M.W.:
449.87

17 activity values

8 unique targets

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
78.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4872742

Name:
5-Chloro-N2-phenethyl-N4-(3-(trifiuoromethyl)pheny
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Mol. Formula:
C20H18ClF3N4

M.W.:
406.84

Type:
Unknown

AlogP:
5.94

Polar Surface Area:
49.84

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4870931

Name:
5-Chloro-N2-cyclopentyl-N4-(3-(trifluoromethyl)phe
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Mol. Formula:
C16H16ClF3N4

M.W.:
356.78