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  1. ALA4582858

    Name:
    Isodamascone

    Mol. Formula:
    C13H20O

    M.W.:
    192.30

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  2. ALA4569846

    Name:
    Alpha-Methyl Ionone

    Mol. Formula:
    C14H22O

    M.W.:
    206.33

    Type:
    Unknown

    AlogP:
    3.90

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  3. ALA4567266

    Name:
    Isobutyl Ionone

    Mol. Formula:
    C16H26O

    M.W.:
    234.38

    Type:
    Unknown

    AlogP:
    4.54

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  4. ALA4565078

    Name:
    Beta-Damascone

    Mol. Formula:
    C13H20O

    M.W.:
    192.30

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ALA4547572

    Name:
    Traseolide

    Mol. Formula:
    C18H26O

    M.W.:
    258.40

    Type:
    Unknown

    AlogP:
    4.86

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. ALA4545716

    Name:
    Santalone

    Mol. Formula:
    C11H16O

    M.W.:
    164.25

    Type:
    Unknown

    AlogP:
    2.26

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.58

    DETAILS
  7. Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  8. Delta Damascone

    Name:
    Delta-Damascone

    Mol. Formula:
    C13H20O

    M.W.:
    192.30

    Type:
    Unknown

    AlogP:
    3.37

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA4473713

    Name:
    Ethyl Saffranate

    Mol. Formula:
    C12H18O2

    M.W.:
    194.27

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  10. Pseudoionone

    Name:
    Pseudoionone

    Mol. Formula:
    C13H20O

    M.W.:
    192.30

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA4469235

    Name:
    Brahmanol

    Mol. Formula:
    C13H24O

    M.W.:
    196.33

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  12. ALA4464953

    Name:
    Cocoyl Trimethyl-ammonium Chloride

    Mol. Formula:
    C22H48ClNO3S

    M.W.:
    442.15

    Type:
    Unknown

    AlogP:
    5.91

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA4462773

    Name:
    Myristoyl Sarcosine

    Mol. Formula:
    C17H33NO3

    M.W.:
    299.45

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    57.61

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA4462463

    Name:
    Linoleamidopropyl Dimethylamine

    Mol. Formula:
    C23H44N2O

    M.W.:
    364.62

    Type:
    Unknown

    AlogP:
    5.87

    Polar Surface Area:
    32.34

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  15. ALA4460864

    Name:
    Dihydro Alpha-Ionone

    Mol. Formula:
    C13H22O

    M.W.:
    194.32

    Type:
    Unknown

    AlogP:
    3.74

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA4442941

    Name:
    Nonadieneal

    Mol. Formula:
    C9H14O

    M.W.:
    138.21

    Type:
    Unknown

    AlogP:
    2.49

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  17. ALA4441073

    Name:
    Isocyclogeraniol

    Mol. Formula:
    C10H18O

    M.W.:
    154.25

    Type:
    Unknown

    AlogP:
    2.22

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  18. ALA3184724

    Name:
    SID144212780

    Mol. Formula:
    C16H24O

    M.W.:
    232.37

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. N-Lauroylsarcosine, neat

    Name:
    SID144211669

    Mol. Formula:
    C15H29NO3

    M.W.:
    271.40

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    57.61

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  20. Lauroylamide Propylbetaine

    Name:
    Cocamidopropyl Betaine

    Mol. Formula:
    C19H38N2O3

    M.W.:
    342.52

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    69.23

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
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