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  1. ALA447917

    Name:
    S-methyl 4-methyl-4-morpholinopent-2-ynethioate

    Mol. Formula:
    C11H17NO2S

    M.W.:
    227.33

    Type:
    Small molecule

    AlogP:
    0.99

    Polar Surface Area:
    29.54

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  2. ALA450378

    Name:
    (E)-ethyl 8-oxohexadec-9-enoate

    Mol. Formula:
    C18H32O3

    M.W.:
    296.45

    Type:
    Small molecule

    AlogP:
    4.99

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA465241

    Name:
    (9E,11E)-2,3-dihydroxypropyl 13-oxooctadeca-9,11-dienoate

    Mol. Formula:
    C21H36O5

    M.W.:
    368.51

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA465240

    Name:
    (10E,12E)-9-oxooctadeca-10,12-dienoic acid

    Mol. Formula:
    C18H30O3

    M.W.:
    294.43

    Type:
    Small molecule

    AlogP:
    5.06

    Polar Surface Area:
    54.37

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA465239

    Name:
    (E)-ethyl 8-oxooctadec-9-enoate

    Mol. Formula:
    C20H36O3

    M.W.:
    324.51

    Type:
    Small molecule

    AlogP:
    5.77

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  6. ALA465675

    Name:
    (E)-8-oxo-9-oactadecenoic acid

    Mol. Formula:
    C18H32O3

    M.W.:
    296.45

    Type:
    Small molecule

    AlogP:
    5.29

    Polar Surface Area:
    54.37

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
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