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  1. ALA3349294

    Name:
    SID50108526

    Mol. Formula:
    C18H26NO3+

    M.W.:
    304.41

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. ALA3214523

    Name:
    SID14727023

    Mol. Formula:
    C16H18N2O3

    M.W.:
    286.33

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA3214139

    Name:
    SID17409492

    Mol. Formula:
    C15H14N2O3S

    M.W.:
    302.36

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    64.73

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA3213966

    Name:
    SID14745026

    Mol. Formula:
    C9H11NO2

    M.W.:
    165.19

    Type:
    Small molecule

    AlogP:
    1.89

    Polar Surface Area:
    41.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.42

    DETAILS
  5. ALA3213084

    Name:
    SID14737081

    Mol. Formula:
    C17H12Cl2FN5O

    M.W.:
    392.22

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    63.38

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  6. ALA3212936

    Name:
    SID17385981

    Mol. Formula:
    C23H25BrN2O6

    M.W.:
    505.37

    Type:
    Small molecule

    AlogP:
    4.99

    Polar Surface Area:
    102.51

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  7. ALA3212866

    Name:
    SID14735988

    Mol. Formula:
    C18H20N2O

    M.W.:
    280.37

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    44.62

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  8. ALA3212804

    Name:
    SID17388003

    Mol. Formula:
    C17H18N2OS

    M.W.:
    298.41

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    41.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA3212475

    Name:
    SID17507749

    Mol. Formula:
    C15H19N3O4

    M.W.:
    305.33

    Type:
    Small molecule

    AlogP:
    0.44

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. ALA3212402

    Name:
    SID14738542

    Mol. Formula:
    C11H9ClN4O

    M.W.:
    248.67

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    70.40

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA3212345

    Name:
    SID17388355

    Mol. Formula:
    C24H24N2O3S

    M.W.:
    420.53

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    59.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA3212145

    Name:
    SID16953103

    Mol. Formula:
    C15H13N7O2

    M.W.:
    323.32

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    111.13

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  13. ALA3211566

    Name:
    SID24811476

    Mol. Formula:
    C20H21BrN2O6

    M.W.:
    465.30

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    87.61

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA3211403

    Name:
    SID7966610

    Mol. Formula:
    C15H17N5O2

    M.W.:
    299.33

    Type:
    Small molecule

    AlogP:
    2.56

    Polar Surface Area:
    85.42

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  15. ALA3211329

    Name:
    SID14731149

    Mol. Formula:
    C14H21N3O

    M.W.:
    247.34

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    54.35

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA3211303

    Name:
    SID4240953

    Mol. Formula:
    C8H13N3O3

    M.W.:
    199.21

    Type:
    Small molecule

    AlogP:
    0.15

    Polar Surface Area:
    68.57

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA3211185

    Name:
    SID17402369

    Mol. Formula:
    C19H12Cl3N3O4

    M.W.:
    452.68

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    82.78

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  18. ALA3210965

    Name:
    SID4250440

    Mol. Formula:
    C15H17N3O2S

    M.W.:
    303.39

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    57.69

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  19. ALA3210899

    Name:
    SID14727737

    Mol. Formula:
    C15H20N4O2

    M.W.:
    288.35

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    70.62

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA3210346

    Name:
    SID14729531

    Mol. Formula:
    C13H15NO4

    M.W.:
    249.27

    Type:
    Small molecule

    AlogP:
    1.82

    Polar Surface Area:
    60.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
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