Compounds

ALA4476766

Name:
2,6-Difluoro-3-((4-(4-ethylphenyl)-5-oxo-1,3,4-oxa
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Mol. Formula:
C18H15F2N3O4

M.W.:
375.33

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4554288

Name:
2,6-Difluoro-3-((4-(p-tolyl)-5-oxo-1,3,4-oxadiazol
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Mol. Formula:
C17H13F2N3O4

M.W.:
361.30

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4568643

Name:
2,6-Difluoro-3-((4-(3-chlorophenyl)-5-oxo-1,3,4-ox
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Mol. Formula:
C16H10ClF2N3O4

M.W.:
381.72

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4529294

Name:
2,6-Difluoro-3-((4-(4-fluorophenyl)-5-oxo-1,3,4-ox
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Mol. Formula:
C16H10F3N3O4

M.W.:
365.27

8 activity values

5 unique targets

Type:
Unknown

AlogP:
1.92

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4547282

Name:
2,6-Difluoro-3-((4-(2,4-dimethylphenyl)-5-oxo-1,3,
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Mol. Formula:
C18H15F2N3O4

M.W.:
375.33

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.40

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4584178

Name:
2,6-Difluoro-3-((4-(o-tolyl)-5-oxo-1,3,4-oxadiazol
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Mol. Formula:
C17H13F2N3O4

M.W.:
361.30

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4462399

Name:
2,6-Difluoro-3-((4-(4-(tert-butyl)phenyl)-5-oxo-1,
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Mol. Formula:
C20H19F2N3O4

M.W.:
403.39

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4460802

Name:
2,6-Difluoro-3-((4-(4-chloro-2-methylphenyl)-5-oxo
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Mol. Formula:
C17H12ClF2N3O4

M.W.:
395.75

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4459453

Name:
2,6-Difluoro-3-((4-(4-bromophenyl)-5-oxo-1,3,4-oxa
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Mol. Formula:
C16H10BrF2N3O4

M.W.:
426.17

22 activity values

8 unique targets

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4467101

Name:
2,6-Difluoro-3-((4-(tert-butyl)-5-oxo-1,3,4-oxadia
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Mol. Formula:
C14H15F2N3O4

M.W.:
327.29

8 activity values

5 unique targets

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4471088

Name:
2,6-Difluoro-3-((4-(2,4-dichlorophenyl)-5-oxo-1,3,
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Mol. Formula:
C16H9Cl2F2N3O4

M.W.:
416.17

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4544176

Name:
2,6-Difluoro-3-((4-(3,4-dichlorophenyl)-5-oxo-1,3,
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Mol. Formula:
C16H9Cl2F2N3O4

M.W.:
416.17

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4543700

Name:
2,6-Difluoro-3-((4-(4-butylphenyl)-5-oxo-1,3,4-oxa
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Mol. Formula:
C20H19F2N3O4

M.W.:
403.39

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4566531

Name:
2,6-Difluoro-3-((4-(4-methoxyphenyl)-5-oxo-1,3,4-o
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Mol. Formula:
C17H13F2N3O5

M.W.:
377.30

8 activity values

5 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
109.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5272612

Name:
ethyl 7-amino-4-oxo-5-phenyl-2-thioxo-1,3-di-p-tol
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Mol. Formula:
C30H29N3O4S

M.W.:
527.65

Type:
---

AlogP:
4.93

Polar Surface Area:
85.10

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272244

Name:
7-amino-1,3-bis(4-methoxyphenyl)-4-oxo-5-phenyl-2-
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Mol. Formula:
C28H24N4O4S

M.W.:
512.59

Type:
---

AlogP:
4.29

Polar Surface Area:
101.05

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4458761

Name:
2,6-Difluoro-3-((4-phenyl-5-oxo-1,3,4-oxadiazol-2-
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Mol. Formula:
C16H11F2N3O4

M.W.:
347.28

8 activity values

5 unique targets

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4448843

Name:
2,6-Difluoro-3-((4-(4-cyanophenyl)-5-oxo-1,3,4-oxa
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Mol. Formula:
C17H10F2N4O4

M.W.:
372.29

8 activity values

5 unique targets

Type:
Unknown

AlogP:
1.65

Polar Surface Area:
124.14

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4446049

Name:
2,6-Difluoro-3-((4-(4-bromobenzyl)-5-oxo-1,3,4-oxa
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Mol. Formula:
C17H12BrF2N3O4

M.W.:
440.20

8 activity values

5 unique targets

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
100.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4445100

Name:
2,6-Difluoro-3-((4-(3-methoxyphenyl)-5-oxo-1,3,4-o
Show More⌵

Mol. Formula:
C17H13F2N3O5

M.W.:
377.30

8 activity values

5 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
109.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS