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  1. ALA1604979

    Name:
    SID24411405

    Cas Number:
    896350-76-8

    Mol. Formula:
    C20H30N4O5

    M.W.:
    406.48

    Type:
    Small molecule

    AlogP:
    -0.03

    Polar Surface Area:
    92.37

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA1604951

    Name:
    SID24267360

    Mol. Formula:
    C29H28ClN3O4

    M.W.:
    518.01

    Type:
    Small molecule

    AlogP:
    6.79

    Polar Surface Area:
    81.71

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  3. ALA1604870

    Name:
    SID24415453

    Mol. Formula:
    C23H25N3O2

    M.W.:
    375.47

    Type:
    Small molecule

    AlogP:
    3.28

    Polar Surface Area:
    63.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  4. ALA1604854

    Name:
    SID22401777

    Mol. Formula:
    C24H26N2O3

    M.W.:
    390.48

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    58.64

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA1604810

    Name:
    SID24267303

    Mol. Formula:
    C24H21FN2O3

    M.W.:
    404.44

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    58.64

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. ALA1604590

    Name:
    SID24274197

    Mol. Formula:
    C21H18BrNO5

    M.W.:
    444.28

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    76.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  7. ALA1604498

    Name:
    SID24272039

    Mol. Formula:
    C23H16FNO3

    M.W.:
    373.38

    Type:
    Small molecule

    AlogP:
    5.16

    Polar Surface Area:
    59.31

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. ALA1604475

    Name:
    SID24394816

    Mol. Formula:
    C25H24N4O2S

    M.W.:
    444.56

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    55.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA1604466

    Name:
    SID24273090

    Mol. Formula:
    C26H23NOS

    M.W.:
    397.54

    Type:
    Small molecule

    AlogP:
    6.85

    Polar Surface Area:
    29.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA1604461

    Name:
    SID24407639

    Mol. Formula:
    C20H20N2O2S

    M.W.:
    352.46

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    32.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  11. ALA1604447

    Name:
    SID24394848

    Mol. Formula:
    C21H22F3N5O2

    M.W.:
    433.43

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    62.85

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA1604420

    Name:
    SID24389658

    Cas Number:
    831241-10-2

    Mol. Formula:
    C25H29NO4S

    M.W.:
    439.58

    Type:
    Small molecule

    AlogP:
    4.62

    Polar Surface Area:
    67.59

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA1604405

    Name:
    SID24273905

    Mol. Formula:
    C23H18BrNO3

    M.W.:
    436.31

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    57.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  14. ALA1604357

    Name:
    SID24403387

    Cas Number:
    932513-68-3

    Mol. Formula:
    C17H12N4O3S

    M.W.:
    352.38

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    77.75

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  15. ALA1604350

    Name:
    SID24391911

    Mol. Formula:
    C18H18ClN5O3S2

    M.W.:
    451.96

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    114.80

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  16. ALA1604305

    Name:
    SID24387115

    Mol. Formula:
    C26H26N6O4

    M.W.:
    486.53

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    104.92

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  17. ALA1604206

    Name:
    SID24386508

    Mol. Formula:
    C21H20FN3O3S

    M.W.:
    413.47

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    79.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  18. ALA1604193

    Name:
    SID24274839

    Mol. Formula:
    C27H25N5O3

    M.W.:
    467.53

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    90.30

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA1604007

    Name:
    SID14727532

    Mol. Formula:
    C15H16N4O3

    M.W.:
    300.32

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    90.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA1603912

    Name:
    SID24389379

    Mol. Formula:
    C18H12ClFN2S

    M.W.:
    342.83

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    17.82

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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