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  1. ALA2426621

    Name:
    2-(phenylethynyl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one

    Mol. Formula:
    C15H11NOS

    M.W.:
    253.33

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    29.96

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. (±)-2-Amino-4-phosphonobutyric acid

    Name:
    2-Amino-4-phosphono-butyric acid (AP4)

    Mol. Formula:
    C4H10NO5P

    M.W.:
    183.10

    Type:
    Small molecule

    AlogP:
    -1.03

    Polar Surface Area:
    120.85

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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