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  1. ALA1956445

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Cas Number:
    301355-04-4

    Mol. Formula:
    C17H16N2O2S

    M.W.:
    312.39

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  2. ALA1956444

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H18N2OS

    M.W.:
    322.43

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  3. ALA1956443

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C20H20N2OS

    M.W.:
    336.46

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  4. ALA1956442

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H17N3OS

    M.W.:
    335.43

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    68.68

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA1956441

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H18N2O2S

    M.W.:
    338.43

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  6. ALA1956440

    Name:
    2-(benzo[b]thiophen-2-yl)-N-(3-cyano-4,5,6,7-tetra
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    Mol. Formula:
    C19H16N2OS2

    M.W.:
    352.48

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    52.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  7. ALA1956439

    Name:
    3-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobe
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    Mol. Formula:
    C18H17ClN2OS

    M.W.:
    344.87

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  8. ALA1956438

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Cas Number:
    438473-43-9

    Mol. Formula:
    C19H20N2O2S

    M.W.:
    340.45

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  9. ALA1956437

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H20N2O2S

    M.W.:
    340.45

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA1956436

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H20N2OS

    M.W.:
    324.45

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  11. ALA1956435

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H20N2OS

    M.W.:
    324.45

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  12. ALA1956434

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C19H20N2OS

    M.W.:
    324.45

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  13. ALA1956433

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Cas Number:
    321945-24-8

    Mol. Formula:
    C18H18N2OS

    M.W.:
    310.42

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  14. ALA1956432

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C15H18N2OS

    M.W.:
    274.39

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  15. ALA1956431

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Mol. Formula:
    C14H16N2OS

    M.W.:
    260.36

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  16. ALA1956430

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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    Cas Number:
    355000-40-7

    Mol. Formula:
    C13H14N2OS

    M.W.:
    246.34

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.87

    DETAILS
  17. ALA1956429

    Name:
    N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
    Show More

    Mol. Formula:
    C14H18N2OS

    M.W.:
    262.38

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  18. Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.86

    DETAILS
  19. ALA1956427

    Name:
    (5-tert-butyl-3-isopropyl-3',4'-dimethylbiphenyl-2
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    Mol. Formula:
    C22H30O

    M.W.:
    310.48

    Type:
    Small molecule

    AlogP:
    5.88

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  20. ALA1956426

    Name:
    (5-tert-butyl-3'-chloro-3-isopropylbiphenyl-2-yl)m
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    Mol. Formula:
    C20H25ClO

    M.W.:
    316.87

    Type:
    Small molecule

    AlogP:
    5.92

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
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