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  1. ALA2310951

    Name:
    TDR76588

    Mol. Formula:
    C24H27N2O3+

    M.W.:
    391.49

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    44.34

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA2093835

    Name:
    TDR82732

    Cas Number:
    886948-82-9

    Mol. Formula:
    C17H13ClN2O4S

    M.W.:
    376.82

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    69.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  3. ALA2093834

    Name:
    TDR82729

    Cas Number:
    922821-11-2

    Mol. Formula:
    C15H9Cl3N2O2S

    M.W.:
    387.68

    Type:
    Small molecule

    AlogP:
    5.52

    Polar Surface Area:
    51.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA2093833

    Name:
    TDR82719

    Mol. Formula:
    C21H22N6O3

    M.W.:
    406.45

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    93.66

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  5. ALA2093832

    Name:
    TDR82718

    Mol. Formula:
    C21H24N6O3

    M.W.:
    408.46

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    93.66

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  6. ALA2093831

    Name:
    TDR82697

    Cas Number:
    898617-80-6

    Mol. Formula:
    C21H20ClFN6O2

    M.W.:
    442.88

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    92.27

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  7. ALA2093830

    Name:
    TDR82677

    Cas Number:
    1002431-08-4

    Mol. Formula:
    C21H25N5O2

    M.W.:
    379.46

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    81.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  8. ALA2093829

    Name:
    TDR82543

    Cas Number:
    898423-76-2

    Mol. Formula:
    C21H19F3N2O2

    M.W.:
    388.39

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    49.41

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  9. ALA2093828

    Name:
    TDR82507

    Mol. Formula:
    C22H27N3O2S2

    M.W.:
    429.61

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    45.67

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  10. ALA2093827

    Name:
    TDR82455

    Cas Number:
    898434-38-3

    Mol. Formula:
    C19H16N2O3S3

    M.W.:
    416.55

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    76.13

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  11. ALA2093826

    Name:
    TDR82433

    Cas Number:
    886917-44-8

    Mol. Formula:
    C15H13N3O2S2

    M.W.:
    331.42

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    68.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  12. ALA2093825

    Name:
    TDR82396

    Cas Number:
    886909-26-8

    Mol. Formula:
    C14H10ClN3O2S2

    M.W.:
    351.84

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    68.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA2093824

    Name:
    TDR82388

    Cas Number:
    886905-92-6

    Mol. Formula:
    C26H26N4O3S

    M.W.:
    474.59

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    75.51

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  14. ALA2093823

    Name:
    TDR82349

    Cas Number:
    886905-21-1

    Mol. Formula:
    C22H19N3OS2

    M.W.:
    405.55

    Type:
    Small molecule

    AlogP:
    5.41

    Polar Surface Area:
    46.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA2093822

    Name:
    TDR82348

    Cas Number:
    886904-30-9

    Mol. Formula:
    C20H13F2N3OS

    M.W.:
    381.41

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    46.09

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA2093821

    Name:
    TDR82346

    Cas Number:
    886903-41-9

    Mol. Formula:
    C21H15Cl2N3O2S

    M.W.:
    444.34

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    55.32

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  17. ALA2093820

    Name:
    TDR82342

    Mol. Formula:
    C17H18BrN3OS2

    M.W.:
    424.39

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    36.44

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  18. ALA2093819

    Name:
    TDR82341

    Mol. Formula:
    C21H23N3OS

    M.W.:
    365.50

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    36.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  19. ALA2093818

    Name:
    TDR82320

    Mol. Formula:
    C15H12ClN3O3S2

    M.W.:
    381.87

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    81.18

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  20. ALA2093817

    Name:
    TDR82309

    Mol. Formula:
    C20H14ClFN4O2

    M.W.:
    396.81

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    79.78

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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