Compounds

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2288986

Name:
2-((3,4-dimethylphenoxy)methyl)-5H-[1,3,4]thiadiaz
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Mol. Formula:
C18H15N3O2S

M.W.:
337.40

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2288985

Name:
2-(p-tolyloxymethyl)-5H-[1,3,4]thiadiazolo[2,3-b]q
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Mol. Formula:
C17H13N3O2S

M.W.:
323.38

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2288984

Name:
2-((2,4-dichlorophenoxy)methyl)-5H-[1,3,4]thiadiaz
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Mol. Formula:
C16H9Cl2N3O2S

M.W.:
378.24

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2288979

Name:
2-((2,4-dimethylphenoxy)methyl)-5-methyl-7H-[1,3,4
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Mol. Formula:
C14H14N4OS2

M.W.:
318.43

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
52.31

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2288978

Name:
5-(4-chlorophenyl)-2-((2,4-dimethylphenoxy)methyl)
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Mol. Formula:
C19H15ClN4OS2

M.W.:
414.94

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
52.31

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2288977

Name:
2-((4-chlorophenoxy)methyl)-5-((2,4-dichlorophenox
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Mol. Formula:
C18H11Cl3N4O2S2

M.W.:
485.81

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
61.54

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2288976

Name:
2,5-bis((2,4-dichlorophenoxy)methyl)-7H-[1,3,4]thi
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Mol. Formula:
C18H10Cl4N4O2S2

M.W.:
520.25

Type:
Small molecule

AlogP:
6.69

Polar Surface Area:
61.54

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA2272134

Name:
5-[[4-(4-Nitrobenzoyloxy)phenyl]methyl]-2-thioxo-4
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Mol. Formula:
C17H13N3O5S

M.W.:
371.37

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
110.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2272111

Name:
5-[[4-(1-Naphthylacetoxy)phenyl]methyl]-2-thioxo-4
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Mol. Formula:
C22H18N2O3S

M.W.:
390.46

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2230195

Name:
ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoind
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Mol. Formula:
C23H25FN2O6

M.W.:
444.46

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2230194

Name:
ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoind
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Mol. Formula:
C26H23FN2O6

M.W.:
478.48

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2230193

Name:
ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoind
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Mol. Formula:
C20H19FN2O6

M.W.:
402.38

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2230192

Name:
methyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoin
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Mol. Formula:
C20H19FN2O6

M.W.:
402.38

Type:
Small molecule

AlogP:
1.86

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2230191

Name:
methyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoin
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Mol. Formula:
C19H17FN2O6

M.W.:
388.35

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2230190

Name:
ethyl 2-(7-(5,6-dichloro-1,3-dioxoisoindolin-2-yl)
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Mol. Formula:
C20H13Cl2FN2O6

M.W.:
467.24

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2230189

Name:
ethyl 2-(6-fluoro-7-(5-methyl-1,3-dioxoisoindolin-
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Mol. Formula:
C21H17FN2O6

M.W.:
412.37

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2230188

Name:
ethyl 2-(7-(1,3-dioxoisoindolin-2-yl)-6-fluoro-3-o
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Mol. Formula:
C20H15FN2O6

M.W.:
398.35

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
93.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2230187

Name:
ethyl 2-(7-fluoro-6-(5-nitro-1,3-dioxoisoindolin-2
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Mol. Formula:
C20H14FN3O8

M.W.:
443.34

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
136.36

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2230186

Name:
ethyl 2-(7-fluoro-6-(5-methyl-1,3-dioxoisoindolin-
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Mol. Formula:
C21H17FN2O6

M.W.:
412.37