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  1. ALA5220114

    Name:
    2-(3-bromo-4-morpholino-anilino)-2-oxo-ethanesulfonic acid

    Mol. Formula:
    C12H15BrN2O5S

    M.W.:
    379.23

    Type:
    ---

    AlogP:
    1.11

    Polar Surface Area:
    95.94

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA3594198

    Name:
    4-(chloromethyl)benzylphosphonic acid

    Mol. Formula:
    C8H10ClO3P

    M.W.:
    220.59

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    57.53

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.61

    DETAILS
  3. 4-Nitrobenzylphosphonic acid

    Name:
    4-nitrobenzylphosphonic acid

    Mol. Formula:
    C7H8NO5P

    M.W.:
    217.12

    Type:
    Small molecule

    AlogP:
    1.27

    Polar Surface Area:
    100.67

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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