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  1. ALA2230197

    Name:
    (E)-4-oxohexadec-2-enoic acid

    Mol. Formula:
    C16H28O3

    M.W.:
    268.40

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    54.37

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA2228644

    Name:
    rel-Squamocin

    Mol. Formula:
    C37H66O7

    M.W.:
    622.93

    Type:
    Small molecule

    AlogP:
    7.86

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  3. Dithianon

    Name:
    Dithianon

    Mol. Formula:
    C14H4N2O2S2

    M.W.:
    296.33

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    81.72

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA451260

    Name:
    8-hydroxyquinoline sulfate

    Mol. Formula:
    C9H9NO5S

    M.W.:
    243.24

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    33.12

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.61

    DETAILS
  5. ALA281475

    Name:
    rel-Squamocin-G

    Mol. Formula:
    C37H66O7

    M.W.:
    622.93

    Type:
    Small molecule

    AlogP:
    7.86

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
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