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  1. ALA2448005

    Name:
    3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenylamine hydrochloride

    Mol. Formula:
    C12H9Cl4NS

    M.W.:
    341.09

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    26.02

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA2048408

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C30H26Cl2N2O6

    M.W.:
    581.45

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    120.08

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  3. ALA2048407

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C30H26Cl2N2O6

    M.W.:
    581.45

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    120.08

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  4. ALA2048406

    Name:
    (S)-3-(3-acetylphenyl)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-teShow More

    Mol. Formula:
    C30H24Cl2N2O6

    M.W.:
    579.44

    Type:
    Small molecule

    AlogP:
    5.57

    Polar Surface Area:
    116.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA2048405

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C30H27Cl2N2O6P

    M.W.:
    613.43

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    116.92

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA2048404

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C30H27Cl2N3O7S

    M.W.:
    644.53

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    137.23

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  7. ALA2048403

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H25Cl2N3O7S

    M.W.:
    630.51

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    146.02

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA2048402

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C28H23Cl2N3O7S

    M.W.:
    616.48

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    160.01

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  9. ALA2048401

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C31H28Cl2N2O7S

    M.W.:
    643.54

    Type:
    Small molecule

    AlogP:
    5.55

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. ALA2048036

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C30H26Cl2N2O7S

    M.W.:
    629.52

    Type:
    Small molecule

    AlogP:
    5.16

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA2048035

    Name:
    (+/-)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolShow More

    Mol. Formula:
    C28H23Cl2N3O6S

    M.W.:
    600.48

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    135.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA2048034

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C28H23Cl2N3O7S

    M.W.:
    616.48

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    146.88

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  13. ALA2048033

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H23Cl2FN2O7S

    M.W.:
    633.48

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  14. ALA2048032

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H23Cl3N2O7S

    M.W.:
    649.94

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA2048031

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H23Cl3N2O7S

    M.W.:
    649.94

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA2048030

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H23Cl3N2O7S

    M.W.:
    649.94

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  17. ALA2048029

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H23Cl3N2O7S

    M.W.:
    649.94

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. Lifitegrast

    Name:
    (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolinShow More

    Mol. Formula:
    C29H24Cl2N2O7S

    M.W.:
    615.49

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA2048027

    Name:
    (S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-6-caShow More

    Mol. Formula:
    C27H23Cl3N2O6S

    M.W.:
    609.91

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    120.85

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA2048026

    Name:
    (S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-6-caShow More

    Mol. Formula:
    C27H23Cl3N2O6S

    M.W.:
    609.91

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    120.85

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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