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  1. ALA231421

    Name:
    3-nitropropionate sodium

    Mol. Formula:
    C3H4NNaO4

    M.W.:
    141.06

    Type:
    Small molecule

    AlogP:
    -0.26

    Polar Surface Area:
    80.44

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA230058

    Name:
    hydrohalisulfate 1

    Mol. Formula:
    C31H48O3

    M.W.:
    468.72

    Type:
    Small molecule

    AlogP:
    7.94

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA230057

    Name:
    halisulfate 5

    Mol. Formula:
    C25H39NaO5S

    M.W.:
    474.64

    Type:
    Small molecule

    AlogP:
    6.62

    Polar Surface Area:
    76.74

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA387584

    Name:
    halisulfate 1

    Mol. Formula:
    C31H47NaO6S

    M.W.:
    570.77

    Type:
    Small molecule

    AlogP:
    7.77

    Polar Surface Area:
    104.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
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