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  1. ALA4793665

    Name:
    5-(2-(1-ethylpiperidin-4-yl)thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-Show More

    Mol. Formula:
    C21H25N5OS

    M.W.:
    395.53

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    77.16

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. (3S,4R)-Tofacitinib

    Name:
    3-((3S,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidShow More

    Mol. Formula:
    C16H20N6O

    M.W.:
    312.38

    Type:
    Small molecule

    AlogP:
    1.54

    Polar Surface Area:
    88.91

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
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