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  1. ALA5087297

    Name:
    2-(1-(2-(5-chloro-2,4-dimethoxyphenylamino)-2-oxoe
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    Cas Number:
    1052722-45-8

    Mol. Formula:
    C20H18ClN3O7

    M.W.:
    447.83

    Type:
    Unknown

    AlogP:
    1.56

    Polar Surface Area:
    128.86

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA3885499

    Name:
    4-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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    Mol. Formula:
    C21H23NO2S

    M.W.:
    353.49

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA3885415

    Name:
    2-(3-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)meth
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    Mol. Formula:
    C25H23NO2S

    M.W.:
    401.53

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA3885401

    Name:
    4-((7-o-tolylbenzo[b]thiophen-2-yl)methylamino)but
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    Mol. Formula:
    C20H21NO2S

    M.W.:
    339.46

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ALA3885357

    Name:
    4-((7-(6-methoxynaphthalen-2-yl)benzo[b]thiophen-2
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    Mol. Formula:
    C24H23NO3S

    M.W.:
    405.52

    Type:
    Small molecule

    AlogP:
    5.68

    Polar Surface Area:
    58.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  6. ALA3885229

    Name:
    2-amino-3-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl
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    Mol. Formula:
    C20H22N2O2S

    M.W.:
    354.48

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    75.35

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  7. ALA3885195

    Name:
    2-(4-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)meth
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    Mol. Formula:
    C25H23NO2S

    M.W.:
    401.53

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  8. ALA3885187

    Name:
    5-((4-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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    Mol. Formula:
    C22H25NO2S

    M.W.:
    367.51

    Type:
    Small molecule

    AlogP:
    5.48

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA3885151

    Name:
    4-((7-m-tolylbenzo[b]thiophen-2-yl)methylamino)but
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    Mol. Formula:
    C20H21NO2S

    M.W.:
    339.46

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  10. ALA3885068

    Name:
    4-(((4-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyl
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    Mol. Formula:
    C25H23NO2S

    M.W.:
    401.53

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  11. ALA3885035

    Name:
    1-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyl)
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    Mol. Formula:
    C21H21NO2S

    M.W.:
    351.47

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    40.54

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  12. ALA3885034

    Name:
    3-((4-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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    Mol. Formula:
    C20H21NO2S

    M.W.:
    339.46

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA3884995

    Name:
    2-methyl-3-((5-(naphthalen-2-yl)benzo[b]thiophen-2
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    Mol. Formula:
    C23H21NO2S

    M.W.:
    375.49

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  14. ALA3884986

    Name:
    4-((7-(naphthalen-1-yl)benzo[b]thiophen-2-yl)methy
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    Mol. Formula:
    C23H21NO2S

    M.W.:
    375.49

    Type:
    Small molecule

    AlogP:
    5.68

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA3884941

    Name:
    4-(((5-(naphthalen-2-yl)benzo[b]thiophen-2-yl)meth
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    Mol. Formula:
    C27H21NO2S

    M.W.:
    423.54

    Type:
    Small molecule

    AlogP:
    6.71

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA3884888

    Name:
    4-((7-(4-tert-butylphenyl)benzo[b]thiophen-2-yl)me
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    Mol. Formula:
    C23H27NO2S

    M.W.:
    381.54

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA3884862

    Name:
    2-amino-3-((4-(2-ethylphenyl)benzo[b]thiophen-2-yl
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    Mol. Formula:
    C20H22N2O2S

    M.W.:
    354.48

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    75.35

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA3884809

    Name:
    4-((7-(biphenyl-3-yl)benzo[b]thiophen-2-yl)methyla
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    Mol. Formula:
    C25H23NO2S

    M.W.:
    401.53

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  19. ALA3884795

    Name:
    4-((7-(4-(trifluoromethyl)phenyl)benzo[b]thiophen-
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    Mol. Formula:
    C20H18F3NO2S

    M.W.:
    393.43

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  20. ALA3884740

    Name:
    2-((7-(2-ethylphenyl)benzo[b]thiophen-2-yl)methyla
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    Mol. Formula:
    C19H19NO2S

    M.W.:
    325.43

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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