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  1. ALA2377172

    Name:
    1,2-Bis(3-methyl-1-phenyl-1H-pyrazol-5-yl)disulfane

    Mol. Formula:
    C20H18N4S2

    M.W.:
    378.53

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    35.64

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA2377167

    Name:
    Isoxazol-5-yl-(5-mercapto-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanone

    Mol. Formula:
    C14H11N3O2S

    M.W.:
    285.33

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    60.92

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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