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  1. ALA3629573

    Name:
    5-(3-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-7-yl)benzylidenShow More

    Mol. Formula:
    C21H16N2O3S

    M.W.:
    376.44

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    66.48

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. ALA3629572

    Name:
    (S)-(4)-(ethylsulfonyl)benzoylalanine

    Mol. Formula:
    C12H15NO5S

    M.W.:
    285.32

    Type:
    Small molecule

    AlogP:
    0.46

    Polar Surface Area:
    114.53

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
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