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  1. ALA5179097

    Name:
    1-phenyl-N-(pyridin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide

    Mol. Formula:
    C23H16N4O

    M.W.:
    364.41

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    70.67

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA562520

    Name:
    Monocillin II

    Mol. Formula:
    C18H20O5

    M.W.:
    316.35

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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