Compounds

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
94.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4096818

Name:
4-((5-Chloropyridin-3-yl)oxy)-N-(5-fluoropyridin-2
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Mol. Formula:
C17H12ClFN4O2

M.W.:
358.76

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
77.00

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4095685

Name:
N-(6-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-y
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Mol. Formula:
C16H12FN5O2

M.W.:
325.30

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
89.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4094617

Name:
N-(5-fluoropyridin-2-yl)-6-(5-fluoropyridin-3-ylox
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Mol. Formula:
C18H12F2N6O2

M.W.:
382.33

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
94.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4103707

Name:
6-Methyl-N-(6-methylpyridin-2-yl)-4-(pyrimidin-5-y
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Mol. Formula:
C17H15N5O2

M.W.:
321.34

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
89.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4102752

Name:
7-Chloro-4-(4-chlorophenyl)-6-fluoro-3-((4-fluorop
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Mol. Formula:
C21H11Cl2F2NO2S

M.W.:
450.29

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4102569

Name:
5-methyl-6-(phenylethynyl)-pyridine

Mol. Formula:
C14H11N

M.W.:
193.25

1 activity values

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
12.89

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA4101860

Name:
2-((4-(pyridin-2-yldiazenyl)phenyl)ethynyl)pyridin
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Mol. Formula:
C18H12N4

M.W.:
284.32

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
50.50

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4101273

Name:
6-Chloro-4-(4-chlorophenyl)-3-((4-fluorophenyl)sul
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Mol. Formula:
C21H12Cl2FNO2S

M.W.:
432.30

Type:
Small molecule

AlogP:
6.18

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4100830

Name:
N-(5-Chloropyridin-2-yl)-4-((5-fluoropyridin-3-yl)
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Mol. Formula:
C17H12ClFN4O2

M.W.:
358.76

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
77.00

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4100326

Name:
4-(4-Chlorophenyl)-7-fluoro-3-((4-fluorophenyl)sul
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Mol. Formula:
C21H12ClF2NO2S

M.W.:
415.85

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4099750

Name:
6-(2,5-difluoropyridin-3-yloxy)-N-(5-fluoropyridin
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Mol. Formula:
C17H9F3N6O2

M.W.:
386.29

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
94.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4094126

Name:
1,4-bis(pyridin-2-ylethynyl)benzene

Mol. Formula:
C20H12N2

M.W.:
280.33

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
25.78

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4093386

Name:
4-((5-Fluoropyridin-3-yl)oxy)-6-methyl-N-(4-methyl
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Mol. Formula:
C16H13FN4O2S

M.W.:
344.37

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
77.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4092590

Name:
4-(4-Chlorophenyl)-8-fluoro-3-((4-fluorophenyl)sul
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Mol. Formula:
C21H12ClF2NO2S

M.W.:
415.85

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
47.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4092008

Name:
6-(4,5-difluoropyridin-3-yloxy)-N-(5-fluoropyridin
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Mol. Formula:
C17H9F3N6O2

M.W.:
386.29

12 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
94.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4090661

Name:
N-(4-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-y
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Mol. Formula:
C16H12FN5O2

M.W.:
325.30

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
89.89

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4089038

Name:
6-Methyl-N-(4-methylthiazol-2-yl)-4-(pyrimidin-5-y
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Mol. Formula:
C15H13N5O2S

M.W.:
327.37

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
89.89

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4088174

Name:
6-(5-fluoropyridin-3-yloxy)-N-(6-methylpyridin-2-y
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Mol. Formula:
C19H14FN5O2

M.W.:
363.35

9 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
81.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4084830

Name:
4-(4-Chlorophenyl)-3-((4-fluorophenyl)sulfonyl)qui
Show More⌵

Mol. Formula:
C22H12ClFN2O2S

M.W.:
422.87