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  1. ALA4524075

    Name:
    methylangolensate MW

    Mol. Formula:
    C25H28O8

    M.W.:
    456.49

    Type:
    Unknown

    AlogP:
    2.08

    Polar Surface Area:
    105.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA3354990

    Name:
    Ficifolidione

    Mol. Formula:
    C25H38O3

    M.W.:
    386.58

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA3039236

    Name:
    Khayasin

    Mol. Formula:
    C32H42O8

    M.W.:
    554.68

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    109.11

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  4. ALA2386304

    Name:
    Nimonol

    Mol. Formula:
    C28H36O5

    M.W.:
    452.59

    Type:
    Small molecule

    AlogP:
    5.21

    Polar Surface Area:
    76.74

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA2288880

    Name:
    desacetylnimbin MW

    Mol. Formula:
    C28H34O9

    M.W.:
    514.57

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    125.43

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  6. ALA2288879

    Name:
    nimbin MW

    Mol. Formula:
    C30H36O10

    M.W.:
    556.61

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    131.50

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA2288878

    Name:
    nimbin pp

    Mol. Formula:
    C30H36O11

    M.W.:
    572.61

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    151.73

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA2288877

    Name:
    nimbinolide

    Mol. Formula:
    C30H36O11

    M.W.:
    572.61

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    151.73

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA2288876

    Name:
    desacetyl salannolide

    Mol. Formula:
    C32H42O10

    M.W.:
    586.68

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    137.82

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  10. ALA2288875

    Name:
    3-oxosalannin

    Mol. Formula:
    C32H40O8

    M.W.:
    552.66

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    101.27

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  11. ALA2288874

    Name:
    2'3'-dehydro salannol

    Mol. Formula:
    C32H44O8

    M.W.:
    556.70

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    104.43

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA2288873

    Name:
    salannin pp

    Mol. Formula:
    C34H44O11

    M.W.:
    628.72

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    143.89

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. ALA2288872

    Name:
    salannolide

    Mol. Formula:
    C34H44O11

    M.W.:
    628.72

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    143.89

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  14. ALA2288871

    Name:
    salannin pp1

    Mol. Formula:
    C34H44O11

    M.W.:
    628.72

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    143.89

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  15. ALA2288870

    Name:
    homoazadiradione

    Mol. Formula:
    C29H38O4

    M.W.:
    450.62

    Type:
    Small molecule

    AlogP:
    6.63

    Polar Surface Area:
    56.51

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  16. ALA2288869

    Name:
    epoxy azadiradione pp

    Mol. Formula:
    C28H34O8

    M.W.:
    498.57

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    119.50

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA2288868

    Name:
    azadiradione pp

    Mol. Formula:
    C28H34O7

    M.W.:
    482.57

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    106.97

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  18. ALA2288867

    Name:
    epoxy nimonol

    Mol. Formula:
    C28H36O6

    M.W.:
    468.59

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    89.27

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  19. ALA2288866

    Name:
    nimonol MW

    Mol. Formula:
    C28H36O6

    M.W.:
    468.59

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA2288865

    Name:
    6-oxonimonol

    Mol. Formula:
    C28H34O5

    M.W.:
    450.58

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    73.58

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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