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  1. ALA4846043

    Name:
    NA

    Mol. Formula:
    C21H18BrNO6

    M.W.:
    460.28

    Type:
    Unknown

    AlogP:
    3.26

    Polar Surface Area:
    91.26

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA3392450

    Name:
    SID26740873

    Mol. Formula:
    C16H15NO7S

    M.W.:
    365.36

    Type:
    Small molecule

    AlogP:
    1.06

    Polar Surface Area:
    141.00

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA3392417

    Name:
    SID26740872

    Mol. Formula:
    C16H15NO7S

    M.W.:
    365.36

    Type:
    Small molecule

    AlogP:
    1.06

    Polar Surface Area:
    141.00

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. ALA3392076

    Name:
    SID7973290

    Mol. Formula:
    C12H17NO4

    M.W.:
    239.27

    Type:
    Small molecule

    AlogP:
    0.58

    Polar Surface Area:
    86.46

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  5. ALA3391711

    Name:
    SID860491

    Mol. Formula:
    C13H17N3OS

    M.W.:
    263.37

    Type:
    Small molecule

    AlogP:
    2.31

    Polar Surface Area:
    63.97

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  6. ALA3322357

    Name:
    2-(Cyclohexylcarbonyl)-10-(3-{[4-(phenylsulfonyl)furazan-3-yl]oxy}propoxy)-Show More

    Mol. Formula:
    C30H34N4O7S

    M.W.:
    594.69

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    132.14

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA3322355

    Name:
    4-({[2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-aShow More

    Mol. Formula:
    C23H25N5O4

    M.W.:
    435.48

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    112.56

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  8. ALA3322294

    Name:
    4-({[2-(Cyclohexylcarbonyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-aShow More

    Mol. Formula:
    C23H27N5O5

    M.W.:
    453.50

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    131.86

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA3214450

    Name:
    SID14738068

    Mol. Formula:
    C24H31N3O4

    M.W.:
    425.53

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    87.74

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  10. ALA3214391

    Name:
    SID24841353

    Mol. Formula:
    C19H15ClN4O3S

    M.W.:
    414.87

    Type:
    Small molecule

    AlogP:
    3.30

    Polar Surface Area:
    100.52

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA3214368

    Name:
    SID49827163

    Mol. Formula:
    C14H13N5O3

    M.W.:
    299.29

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    113.28

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA3214348

    Name:
    SID49646187

    Mol. Formula:
    C19H16N2O2

    M.W.:
    304.35

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    64.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  13. ALA3214211

    Name:
    SID26661670

    Mol. Formula:
    C10H13N7O

    M.W.:
    247.26

    Type:
    Small molecule

    AlogP:
    -0.53

    Polar Surface Area:
    89.99

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  14. ALA3214192

    Name:
    SID49679631

    Mol. Formula:
    C25H22N4O5

    M.W.:
    458.47

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    140.04

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA3214091

    Name:
    SID26665748

    Mol. Formula:
    C18H21ClN4O3

    M.W.:
    376.84

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    87.07

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  16. ALA3214073

    Name:
    SID26666131

    Mol. Formula:
    C14H14ClN3O

    M.W.:
    275.74

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    46.39

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA3214041

    Name:
    SID17414095

    Mol. Formula:
    C21H29N3O2S

    M.W.:
    387.55

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    57.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  18. ALA3213964

    Name:
    SID24779124

    Mol. Formula:
    C17H13FN4O4

    M.W.:
    356.31

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    113.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA3213922

    Name:
    SID57261546

    Mol. Formula:
    C21H25N5O

    M.W.:
    363.47

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    42.39

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA3213913

    Name:
    SID17415953

    Mol. Formula:
    C17H16BrClN2O

    M.W.:
    379.69

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    24.83

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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