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  1. ALA3199406

    Name:
    SID26671027

    Mol. Formula:
    C16H16N4O3

    M.W.:
    312.33

    Type:
    Small molecule

    AlogP:
    1.57

    Polar Surface Area:
    96.48

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA1794290

    Name:
    SID46501284

    Mol. Formula:
    C11H10N2S2

    M.W.:
    234.35

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    24.72

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
  3. ALA1794278

    Name:
    SID22414220

    Cas Number:
    492457-03-1

    Mol. Formula:
    C15H18N6O

    M.W.:
    298.35

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    105.54

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  4. ALA1794266

    Name:
    SID47194247

    Mol. Formula:
    C12H12ClFN2O

    M.W.:
    254.69

    Type:
    Small molecule

    AlogP:
    2.49

    Polar Surface Area:
    32.67

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  5. ALA1794259

    Name:
    SID49724188

    Mol. Formula:
    C18H20Cl2N2O2

    M.W.:
    367.28

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    46.34

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. ALA1794249

    Name:
    SID14725982

    Mol. Formula:
    C13H12N4OS

    M.W.:
    272.33

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    87.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  7. ALA1794234

    Name:
    SID24808431

    Mol. Formula:
    C14H14N4O2

    M.W.:
    270.29

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    100.86

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  8. ALA1794229

    Name:
    SID24800548

    Mol. Formula:
    C20H25N5O2

    M.W.:
    367.45

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    85.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  9. ALA1794196

    Name:
    SID14725900

    Mol. Formula:
    C18H18N4O3

    M.W.:
    338.37

    Type:
    Small molecule

    AlogP:
    1.91

    Polar Surface Area:
    114.02

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. ALA1794195

    Name:
    SID47193415

    Cas Number:
    5959-56-8

    Mol. Formula:
    C10H10ClNO

    M.W.:
    195.65

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    46.25

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.46

    DETAILS
  11. ALA1794153

    Name:
    SID49717905

    Mol. Formula:
    C20H17NO5

    M.W.:
    351.36

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    76.82

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA1794145

    Name:
    SID17512956

    Cas Number:
    443652-48-0

    Mol. Formula:
    C9H18N2O2S2

    M.W.:
    250.39

    Type:
    Small molecule

    AlogP:
    0.85

    Polar Surface Area:
    58.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.43

    DETAILS
  13. ALA1794141

    Name:
    SID17413473

    Mol. Formula:
    C23H18F3N3O6

    M.W.:
    489.41

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    134.71

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA1794130

    Name:
    SID47193416

    Cas Number:
    63134-21-4

    Mol. Formula:
    C10H10ClNO

    M.W.:
    195.65

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    46.25

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.58

    DETAILS
  15. ALA1794123

    Name:
    SID47194243

    Mol. Formula:
    C11H12N2O

    M.W.:
    188.23

    Type:
    Small molecule

    AlogP:
    1.35

    Polar Surface Area:
    41.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  16. ALA1794081

    Name:
    SID47194359

    Mol. Formula:
    C15H7NO6

    M.W.:
    297.22

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    114.58

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  17. ALA1532588

    Name:
    SID26665226

    Mol. Formula:
    C13H9N3O2

    M.W.:
    239.23

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    66.95

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  18. ALA1201055

    Name:
    SID11532936

    Mol. Formula:
    C8H14N2O4Pt

    M.W.:
    397.29

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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