Compounds

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
35.53

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4095440

Name:
Ethyl 3-Methyl-6-{[2-(methylcarbamoyl)pyridin-4-yl
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Mol. Formula:
C19H18N2O4S

M.W.:
370.43

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4095433

Name:
Ethyl 7-{[2-(Methylcarbamoyl)pyridin-4-yl]oxy}quin
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Mol. Formula:
C19H17N3O4

M.W.:
351.36

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
90.41

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4094501

Name:
Methyl 7-{[2-(Methylcarbamoyl)pyridin-4-yl]oxy}]-2
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Mol. Formula:
C19H16N2O4

M.W.:
336.35

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
77.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4103195

Name:
n-Propyl 3-Methyl-6-{[2-(methylcarbamoyl)pyridin-4
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Mol. Formula:
C20H20N2O4S

M.W.:
384.46

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4103185

Name:
Ethyl 3-Hydroxy-7-{[2-(methylcarbamoyl)pyridin-4-y
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Mol. Formula:
C20H18N2O5

M.W.:
366.37

9 activity values

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
97.75

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4102246

Name:
3-Methyl-6-{[2-(methylcarbamoyl)pyridin-4-yl]oxy}b
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Mol. Formula:
C17H14N2O4S

M.W.:
342.38

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
88.52

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4100582

Name:
Ethyl 7-Chloro-6-{[2-(methylcarbamoyl)pyridin-4-yl
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Mol. Formula:
C18H15ClN2O4S

M.W.:
390.85

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4100479

Name:
Isopropyl 3-Methyl-6-{[6-(methylcarbamoyl)pyridin-
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Mol. Formula:
C20H20N2O4S

M.W.:
384.46

8 activity values

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4099621

Name:
Ethyl 3-Amino-6-{[2-(methylcarbamoyl)pyridin-4-yl]
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Mol. Formula:
C18H17N3O4S

M.W.:
371.42

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
103.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4091888

Name:
4-[2-(Ethylcarbamoyl)-3-methylbenzo[b]thiophen-6-y
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Mol. Formula:
C19H19N3O3S

M.W.:
369.45

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
80.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4087741

Name:
Methyl 6-{[2-(Methylcarbamoyl)pyridin-4-yl]oxy}ben
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Mol. Formula:
C17H14N2O4S

M.W.:
342.38

8 activity values

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4087372

Name:
Ethyl 6-[(2-(Methylcarbamoyl)pyridin-4-yl)oxy]benz
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Mol. Formula:
C18H16N2O4S

M.W.:
356.40

Type:
Small molecule

AlogP:
3.62

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4086772

Name:
Isopropyl 3-Methyl-6-{[2-(methylcarbamoyl)pyridin-
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Mol. Formula:
C20H20N2O4S

M.W.:
384.46

24 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4086764

Name:
Isopropyl 7-{[2-(Methylcarbamoyl)pyridin-4-yl]oxy}
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Mol. Formula:
C21H20N2O4

M.W.:
364.40

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
77.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4084999

Name:
Isopropyl 1,3-Dimethyl-6-[2-(methylcarbamoyl)pyrid
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Mol. Formula:
C21H23N3O4

M.W.:
381.43

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
82.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4090314

Name:
Ethyl 6-{[2-(Methylcarbamoyl)pyridin-4-yl]oxy}benz
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Mol. Formula:
C18H16N2O5

M.W.:
340.34

8 activity values

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
90.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4073941

Name:
Ethyl 7-{[2-(Methylcarbamoyl)pyridin-4-yl]oxy}-2-n
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Mol. Formula:
C20H18N2O4

M.W.:
350.37

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
77.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4073774

Name:
Ethyl 3-Chloro-6-{[2-(methylcarbamoyl)pyridin-4-yl
Show More⌵

Mol. Formula:
C18H15ClN2O4S

M.W.:
390.85

9 activity values

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4071055

Name:
4-[2-(Dimethylcarbamoyl)-3-methylbenzo[b]thiophen-
Show More⌵

Mol. Formula:
C19H19N3O3S

M.W.:
369.45