The page will load shortly, Thanks for your patience!
View as Grid List

10 Items

Set Ascending Direction
Select all
  1. ALA1257352

    Name:
    (R)-17-(1H-tetrazol-5-yl)heptadec-9-en-3-ol

    Mol. Formula:
    C18H34N4O

    M.W.:
    322.50

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    74.69

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  2. ALA1257351

    Name:
    (R)-16-hydroxy-N-(methylsulfonyl)octadec-9-enamide

    Mol. Formula:
    C19H37NO4S

    M.W.:
    375.58

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    83.47

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA1257232

    Name:
    (R)-N,16-dihydroxyoctadec-9-enamide

    Mol. Formula:
    C18H35NO3

    M.W.:
    313.48

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    69.56

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA1257231

    Name:
    16-(hydroxyimino)octadec-9-enoic acid

    Mol. Formula:
    C18H33NO3

    M.W.:
    311.47

    Type:
    Small molecule

    AlogP:
    5.55

    Polar Surface Area:
    69.89

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  5. ALA1257230

    Name:
    15-(2-ethyl-1,3-dioxolan-2-yl)pentadec-9-enoic acid

    Mol. Formula:
    C20H36O4

    M.W.:
    340.50

    Type:
    Small molecule

    AlogP:
    5.46

    Polar Surface Area:
    55.76

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA1256635

    Name:
    16-oxooctadec-9-enoic 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
  7. ALA1256634

    Name:
    (S)-16-hydroxyoctadec-9-enoic acid

    Mol. Formula:
    C18H34O3

    M.W.:
    298.47

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA1256584

    Name:
    paleic acid

    Mol. Formula:
    C18H34O3

    M.W.:
    298.47

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA1255714

    Name:
    Timicosin

    Mol. Formula:
    C45H78N2O13

    M.W.:
    855.12

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    186.15

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA1255713

    Name:
    (R)-16-hydroxyoctadec-9-enamide

    Mol. Formula:
    C18H35NO2

    M.W.:
    297.48

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    63.32

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
per page