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  1. ALA1604981

    Name:
    SID7972533

    Mol. Formula:
    C22H22F3N3O2

    M.W.:
    417.43

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    43.86

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  2. ALA1604912

    Name:
    SID852503

    Mol. Formula:
    C25H28N4O3S

    M.W.:
    464.59

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    80.37

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA1604866

    Name:
    SID858589

    Mol. Formula:
    C20H28O4P2

    M.W.:
    394.39

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    74.60

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA1604841

    Name:
    SID57655045

    Mol. Formula:
    C31H28ClN3O4

    M.W.:
    542.04

    Type:
    Small molecule

    AlogP:
    6.65

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  5. ALA1604796

    Name:
    SID4255756

    Mol. Formula:
    C13H19NO4

    M.W.:
    253.30

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    70.78

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  6. ALA1604757

    Name:
    SID846673

    Cas Number:
    3528-49-2

    Mol. Formula:
    C11H13N3

    M.W.:
    187.25

    Type:
    Small molecule

    AlogP:
    1.82

    Polar Surface Area:
    43.84

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  7. ALA1604755

    Name:
    SID4251722

    Mol. Formula:
    C21H27FN2O2

    M.W.:
    358.46

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    40.62

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  8. ALA1604728

    Name:
    SID851678

    Mol. Formula:
    C25H28ClFN6O2S

    M.W.:
    531.06

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    68.54

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA1604646

    Name:
    SID3717401

    Mol. Formula:
    C19H16Cl2N2O5

    M.W.:
    423.25

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    83.56

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA1604556

    Name:
    SID852877

    Mol. Formula:
    C12H10Cl2N2O3S

    M.W.:
    333.20

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    65.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  11. ALA1604542

    Name:
    SID843730

    Mol. Formula:
    C20H22N4O3S

    M.W.:
    398.49

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    83.04

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA1604529

    Name:
    SID4263985

    Cas Number:
    349579-54-0

    Mol. Formula:
    C17H17NO4

    M.W.:
    299.33

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    64.63

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  13. ALA1604421

    Name:
    SID17385258

    Mol. Formula:
    C32H34FN3O4

    M.W.:
    543.64

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    71.85

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA1604404

    Name:
    SID7972650

    Mol. Formula:
    C14H22N2O2S

    M.W.:
    282.41

    Type:
    Small molecule

    AlogP:
    1.78

    Polar Surface Area:
    40.62

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.85

    DETAILS
  15. ALA1604375

    Name:
    SID17389877

    Cas Number:
    55-38-9

    Mol. Formula:
    C10H15O3PS2

    M.W.:
    278.34

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    27.69

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA1604342

    Name:
    SID3715438

    Mol. Formula:
    C11H9NO5S

    M.W.:
    267.26

    Type:
    Small molecule

    AlogP:
    0.15

    Polar Surface Area:
    80.75

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA1604319

    Name:
    SID4263264

    Mol. Formula:
    C17H20N2O4S

    M.W.:
    348.42

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    79.62

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  18. ALA1604288

    Name:
    SID4254860

    Mol. Formula:
    C21H27N5O

    M.W.:
    365.48

    Type:
    Small molecule

    AlogP:
    3.28

    Polar Surface Area:
    61.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  19. ALA1604222

    Name:
    SID3711399

    Mol. Formula:
    C16H19N3O4

    M.W.:
    317.35

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    93.46

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  20. ALA1604212

    Name:
    SID4256074

    Mol. Formula:
    C15H19NO4

    M.W.:
    277.32

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    60.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
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