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  1. ALA5280514

    Name:
    Quadranoside I

    Mol. Formula:
    C36H58O9

    M.W.:
    634.85

    Type:
    ---

    AlogP:
    3.32

    Polar Surface Area:
    156.91

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA5278543

    Name:
    Negleschidilactone B

    Mol. Formula:
    C29H34O12

    M.W.:
    574.58

    Type:
    ---

    AlogP:
    -0.13

    Polar Surface Area:
    167.42

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  3. ALA5278445

    Name:
    Methyl quadrangularate N

    Mol. Formula:
    C31H46O6

    M.W.:
    514.70

    Type:
    ---

    AlogP:
    4.65

    Polar Surface Area:
    100.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA5278211

    Name:
    Potentillanoside A

    Mol. Formula:
    C36H56O10

    M.W.:
    648.83

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    173.98

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA5275505

    Name:
    (4aS,6aR,6bR,8aR,9S,10R,11R,12aS,12bR,14aR,14bR)-10,11-dihydroxy-9-(hydroxyShow More

    Mol. Formula:
    C30H48O5

    M.W.:
    488.71

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA5275275

    Name:
    (1S,4aR,6aR,6bR,8R,8aR,10R,11R,12aR,12bR,14aR,14bR)-1,8,10,11-tetrahydroxy-Show More

    Mol. Formula:
    C30H48O6

    M.W.:
    504.71

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA5272789

    Name:
    Quadrangularic acid M

    Mol. Formula:
    C30H48O5

    M.W.:
    488.71

    Type:
    ---

    AlogP:
    5.18

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA5286887

    Name:
    Quadranoside II

    Mol. Formula:
    C36H58O10

    M.W.:
    650.85

    Type:
    ---

    AlogP:
    2.29

    Polar Surface Area:
    177.14

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. ALA5285799

    Name:
    Micrandilactone A

    Mol. Formula:
    C29H36O12

    M.W.:
    576.60

    Type:
    ---

    AlogP:
    -0.29

    Polar Surface Area:
    175.12

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA5285421

    Name:
    Henridilactone D

    Mol. Formula:
    C29H36O10

    M.W.:
    544.60

    Type:
    ---

    AlogP:
    1.48

    Polar Surface Area:
    134.66

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA5284619

    Name:
    (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aR,6aR,6bShow More

    Mol. Formula:
    C36H58O11

    M.W.:
    666.85

    Type:
    ---

    AlogP:
    1.26

    Polar Surface Area:
    197.37

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  12. ALA5284510

    Name:
    6alpha-hydroxyhovenic acid

    Mol. Formula:
    C30H48O6

    M.W.:
    504.71

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA5289820

    Name:
    11beta-Hydroxylkadsuphilactone A

    Mol. Formula:
    C30H44O7

    M.W.:
    516.68

    Type:
    ---

    AlogP:
    4.68

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA5288461

    Name:
    Propindilactone D

    Mol. Formula:
    C29H34O11

    M.W.:
    558.58

    Type:
    ---

    AlogP:
    0.76

    Polar Surface Area:
    147.19

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  15. ALA5288439

    Name:
    (1S,4aR,6aR,6bR,8aR,10R,11R,12aS,12bR,14aR,14bR)-1,10,11-trihydroxy-2,2,6a,Show More

    Mol. Formula:
    C30H48O5

    M.W.:
    488.71

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA5287392

    Name:
    (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2R,4aR,6aR,6bShow More

    Mol. Formula:
    C36H58O11

    M.W.:
    666.85

    Type:
    ---

    AlogP:
    1.26

    Polar Surface Area:
    197.37

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  17. ALA5266211

    Name:
    Norquadrangularic acid B

    Mol. Formula:
    C30H50O6

    M.W.:
    506.72

    Type:
    ---

    AlogP:
    4.23

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA5265770

    Name:
    (1S,4aR,6aR,6bR,8aR,9R,10R,11R,12aS,12bR,14aR,14bR)-1,10,11-trihydroxy-9-(hShow More

    Mol. Formula:
    C30H48O6

    M.W.:
    504.71

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  19. SRI 31215 TFA

    Name:
    3-[3-[(1-benzyl-4-piperidyl)methyl]-5-methyl-2-oxo-hexahydropyrimidin-1-yl]Show More

    Mol. Formula:
    C27H34F3N5O3

    M.W.:
    533.60

    Type:
    ---

    AlogP:
    3.76

    Polar Surface Area:
    76.66

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  20. ALA4515081

    Name:
    2-ethyl-3-(2,4-dibromo-3-hydroxybenzoyl)benzofuran

    Mol. Formula:
    C17H12Br2O3

    M.W.:
    424.09

    Type:
    Unknown

    AlogP:
    5.46

    Polar Surface Area:
    50.44

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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