Compounds

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1096001

Name:
{3-[6-Fluoro-1-(2-fluoro-phenyl)-2,2-dioxo-1,2,3,4
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Mol. Formula:
C18H20F2N2O2S

M.W.:
366.43

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1095367

Name:
[3-(6-Fluoro-2,2-dioxo-1-phenyl-1,2,3,4-tetrahydro
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Mol. Formula:
C18H21FN2O2S

M.W.:
348.44

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1085198

Name:
{3-[1-(2,6-Difluoro-phenyl)-2,2-dioxo-1,2,3,4-tetr
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Mol. Formula:
C18H20F2N2O2S

M.W.:
366.43

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1085197

Name:
{3-[1-(2-Fluoro-phenyl)-2,2-dioxo-1,2,3,4-tetrahyd
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Mol. Formula:
C18H21FN2O2S

M.W.:
348.44

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1077209

Name:
[3-(2,2-Dioxo-1-phenyl-1,2,3,4-tetrahydro-2lambda*
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Mol. Formula:
C18H22N2O2S

M.W.:
330.45

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA1083211

Name:
{4-[6-Fluoro-1-(2-fluoro-phenyl)-2,2-dioxo-1,4-dih
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Mol. Formula:
C18H21F2N3O2S

M.W.:
381.45

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA1083210

Name:
{3-[6-Fluoro-1-(2-fluoro-phenyl)-2,2-dioxo-1,4-dih
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Mol. Formula:
C17H19F2N3O2S

M.W.:
367.42

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1084934

Name:
{2-[6-Fluoro-1-(2-fluoro-phenyl)-2,2-dioxo-1,4-dih
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Mol. Formula:
C16H17F2N3O2S

M.W.:
353.39

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA1084933

Name:
{4-[1-(2-Fluoro-phenyl)-2,2-dioxo-1,4-dihydro-2H-2
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Mol. Formula:
C18H22FN3O2S

M.W.:
363.46

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1087924

Name:
{3-[1-(2-Fluoro-phenyl)-2,2-dioxo-1,4-dihydro-2H-2
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Mol. Formula:
C17H20FN3O2S

M.W.:
349.43

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1087923

Name:
{2-[1-(2-Fluoro-phenyl)-2,2-dioxo-1,4-dihydro-2H-2
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Mol. Formula:
C16H18FN3O2S

M.W.:
335.40

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA1087922

Name:
{3-[1-(3-Chloro-4-fluoro-phenyl)-2,2-dioxo-1,4-dih
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Mol. Formula:
C17H19ClFN3O2S

M.W.:
383.88

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA1087921

Name:
{3-[1-(3,4-Difluoro-phenyl)-2,2-dioxo-1,4-dihydro-
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Mol. Formula:
C17H19F2N3O2S

M.W.:
367.42

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1077202

Name:
{3-[1-(4-Chloro-phenyl)-2,2-dioxo-1,4-dihydro-2H-2
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Mol. Formula:
C17H20ClN3O2S

M.W.:
365.89

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA1085907

Name:
{3-[1-(4-Methoxy-phenyl)-2,2-dioxo-1,4-dihydro-2H-
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Mol. Formula:
C18H23N3O3S

M.W.:
361.47

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1085906

Name:
[3-(2,2-Dioxo-1-p-tolyl-1,4-dihydro-2lambda*6*-ben
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Mol. Formula:
C18H23N3O2S

M.W.:
345.47

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1085905

Name:
{3-[1-(4-Fluoro-phenyl)-2,2-dioxo-1,4-dihydro-2H-2
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Mol. Formula:
C17H20FN3O2S

M.W.:
349.43

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA1085904

Name:
{3-[1-(3-Methoxy-phenyl)-2,2-dioxo-1,4-dihydro-2H-
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Mol. Formula:
C18H23N3O3S

M.W.:
361.47

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1082534

Name:
[3-(2,2-Dioxo-1-m-tolyl-1,4-dihydro-2H-2lambda*6*-
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Mol. Formula:
C18H23N3O2S

M.W.:
345.47