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  1. ALA3214000

    Name:
    SID49647404

    Mol. Formula:
    C15H17N9O2

    M.W.:
    355.36

    Type:
    Small molecule

    AlogP:
    0.90

    Polar Surface Area:
    150.00

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  2. ALA3212860

    Name:
    SID47196136

    Mol. Formula:
    C15H18N2O

    M.W.:
    242.32

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    37.38

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA3212437

    Name:
    SID22415098

    Mol. Formula:
    C21H23N3O5

    M.W.:
    397.43

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    100.46

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA3212186

    Name:
    SID49680314

    Mol. Formula:
    C16H12ClN5O2

    M.W.:
    341.76

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    93.31

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA3211745

    Name:
    SID47202884

    Mol. Formula:
    C18H19FN2O2

    M.W.:
    314.36

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    50.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA3211486

    Name:
    SID47204069

    Mol. Formula:
    C22H27N3O4

    M.W.:
    397.48

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    63.60

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA3211332

    Name:
    SID47197960

    Mol. Formula:
    C14H15BrFNO

    M.W.:
    312.18

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    29.10

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  8. ALA3210058

    Name:
    SID26727531

    Mol. Formula:
    C12H12BrN3O

    M.W.:
    294.15

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    50.27

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA3209572

    Name:
    SID49672177

    Mol. Formula:
    C14H16N2O3S

    M.W.:
    292.36

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    71.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA3208883

    Name:
    SID49824630

    Mol. Formula:
    C21H23N3O4

    M.W.:
    381.43

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    89.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA3208864

    Name:
    SID26667147

    Mol. Formula:
    C19H20ClN3O2

    M.W.:
    357.84

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    70.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  12. ALA3208426

    Name:
    SID26658744

    Mol. Formula:
    C19H23N5O3S

    M.W.:
    401.49

    Type:
    Small molecule

    AlogP:
    0.85

    Polar Surface Area:
    94.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  13. ALA3208414

    Name:
    SID24784801

    Mol. Formula:
    C19H22N4O5S

    M.W.:
    418.48

    Type:
    Small molecule

    AlogP:
    1.42

    Polar Surface Area:
    117.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  14. ALA3207810

    Name:
    SID49643072

    Mol. Formula:
    C14H16N4O3

    M.W.:
    288.31

    Type:
    Small molecule

    AlogP:
    1.95

    Polar Surface Area:
    88.86

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  15. ALA3207745

    Name:
    SID24804053

    Mol. Formula:
    C14H17N3O4

    M.W.:
    291.31

    Type:
    Small molecule

    AlogP:
    0.75

    Polar Surface Area:
    107.86

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  16. ALA3207638

    Name:
    SID49670805

    Mol. Formula:
    C16H16N2O2

    M.W.:
    268.32

    Type:
    Small molecule

    AlogP:
    3.18

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA3207479

    Name:
    SID49820919

    Mol. Formula:
    C21H28N2O4S2

    M.W.:
    436.60

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    76.04

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  18. ALA3199749

    Name:
    SID26660362

    Mol. Formula:
    C15H25N3O

    M.W.:
    263.38

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    50.27

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA3198913

    Name:
    SID49726086

    Mol. Formula:
    C25H30N4O3

    M.W.:
    434.54

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    77.62

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA3197574

    Name:
    SID24835485

    Mol. Formula:
    C15H16N2O4

    M.W.:
    288.30

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    91.91

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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