Compounds

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
169.78

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2288496

Name:
2-(N-(4-ethoxy-6-methoxypyrimidin-2-ylcarbamoyl)su
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Mol. Formula:
C16H20N6O6S

M.W.:
424.44

Type:
Small molecule

AlogP:
0.49

Polar Surface Area:
152.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2288494

Name:
2-(N-(4-(difluoromethoxy)-6-methoxypyrimidin-2-ylc
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Mol. Formula:
C15H16F2N6O6S

M.W.:
446.39

3 activity values

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
152.71

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2288493

Name:
2-(N-(4-methoxy-6-(methylthio)pyrimidin-2-ylcarbam
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Mol. Formula:
C15H18N6O5S2

M.W.:
426.48

Type:
Small molecule

AlogP:
0.81

Polar Surface Area:
143.48

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2287946

Name:
N-(2,6-dichlorophenyl)-N-methyl-2-(4-methyl-3-(tri
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Mol. Formula:
C14H11Cl2F3N2O3

M.W.:
383.15

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2287944

Name:
N-(2,6-dimethylphenyl)-N-methyl-2-(4-methyl-3-(tri
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Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287941

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5
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Mol. Formula:
C14H12F3N3O5

M.W.:
359.26

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
98.71

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2287937

Name:
N-(4-methoxyphenyl)-N-methyl-2-(4-methyl-3-(triflu
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Mol. Formula:
C15H15F3N2O4

M.W.:
344.29

7 activity values

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
64.80

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287930

Name:
N-(3-fluorophenyl)-N-methyl-2-(4-methyl-3-(trifluo
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Mol. Formula:
C14H12F4N2O3

M.W.:
332.25

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2287928

Name:
N-(3-ethylphenyl)-N-methyl-2-(4-methyl-3-(trifluor
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Mol. Formula:
C16H17F3N2O3

M.W.:
342.32

6 activity values

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2287927

Name:
N-methyl-2-(4-methyl-3-(trifluoromethyl)isoxazol-5
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Mol. Formula:
C15H15F3N2O3

M.W.:
328.29

6 activity values

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2287926

Name:
N-(2-iodophenyl)-N-methyl-2-(4-methyl-3-(trifluoro
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Mol. Formula:
C14H12F3IN2O3

M.W.:
440.16

7 activity values

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2287924

Name:
N-(2-chlorophenyl)-N-methyl-2-(4-methyl-3-(trifluo
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Mol. Formula:
C14H12ClF3N2O3

M.W.:
348.71

11 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA2287923

Name:
N-(2-fluorophenyl)-N-methyl-2-(4-methyl-3-(trifluo
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Mol. Formula:
C14H12F4N2O3

M.W.:
332.25

6 activity values

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA2287921

Name:
N-(biphenyl-2-yl)-N-methyl-2-(4-methyl-3-(trifluor
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Mol. Formula:
C20H17F3N2O3

M.W.:
390.36

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2287916

Name:
N-tert-butyl-N-methyl-2-(4-methyl-3-(trifluorometh
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Mol. Formula:
C12H17F3N2O3

M.W.:
294.27

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA2287912

Name:
2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N
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Mol. Formula:
C18H21F3N2O3

M.W.:
370.37

3 activity values

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2287908

Name:
2-(4-methyl-3-(trifluoromethyl)isoxazol-5-yloxy)-N
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Mol. Formula:
C13H11F3N2O3

M.W.:
300.24

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
64.36

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2287903

Name:
2-(4-bromo-3-phenylisoxazol-5-yloxy)-N-methyl-N-ph
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Mol. Formula:
C18H15BrN2O3

M.W.:
387.23

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
55.57

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2287902

Name:
N-methyl-N-phenyl-2-(3-phenylisoxazol-5-yloxy)acet
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Mol. Formula:
C18H16N2O3

M.W.:
308.34