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  1. ALA5279222

    Name:
    Oridonin

    Mol. Formula:
    C20H28O5

    M.W.:
    348.44

    Type:
    ---

    AlogP:
    1.40

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. ALA4594140

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C34H53NO9

    M.W.:
    619.80

    Type:
    Unknown

    AlogP:
    4.90

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  3. ALA4593947

    Name:
    5-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C32H46F6N2O11

    M.W.:
    748.71

    Type:
    Unknown

    AlogP:
    1.88

    Polar Surface Area:
    151.17

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA4590337

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C38H53NO9

    M.W.:
    667.84

    Type:
    Unknown

    AlogP:
    5.34

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA4590174

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C39H62N2O11

    M.W.:
    734.93

    Type:
    Unknown

    AlogP:
    5.40

    Polar Surface Area:
    175.79

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA4586258

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C32H49NO9

    M.W.:
    591.74

    Type:
    Unknown

    AlogP:
    4.07

    Polar Surface Area:
    128.67

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA4586174

    Name:
    3-((((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-metShow More

    Mol. Formula:
    C31H44F3NO9

    M.W.:
    631.69

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    111.16

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. ALA4584533

    Name:
    1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C30H44F3NO9

    M.W.:
    619.67

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    125.15

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA4580455

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C36H49NO9

    M.W.:
    639.79

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA4580421

    Name:
    1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C28H40F3NO9

    M.W.:
    591.62

    Type:
    Unknown

    AlogP:
    2.16

    Polar Surface Area:
    125.15

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA4573421

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C33H51NO9S

    M.W.:
    637.84

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    137.46

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  12. ALA4570307

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C32H49NO9

    M.W.:
    591.74

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  13. ALA4567191

    Name:
    6-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C31H46F3NO9

    M.W.:
    633.70

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    125.15

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. ALA4566837

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C38H60N2O11

    M.W.:
    720.90

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    175.79

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  15. ALA4564662

    Name:
    1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C30H44F3NO9S

    M.W.:
    651.74

    Type:
    Unknown

    AlogP:
    2.90

    Polar Surface Area:
    125.15

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  16. ALA4564145

    Name:
    2-((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoShow More

    Mol. Formula:
    C34H51NO9

    M.W.:
    617.78

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    128.67

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  17. ALA4561729

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C33H51NO9

    M.W.:
    605.77

    Type:
    Unknown

    AlogP:
    4.36

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  18. ALA4555385

    Name:
    6-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C33H48F6N2O11

    M.W.:
    762.74

    Type:
    Unknown

    AlogP:
    2.27

    Polar Surface Area:
    151.17

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA4540143

    Name:
    1-(((4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methShow More

    Mol. Formula:
    C30H44F3NO9

    M.W.:
    619.67

    Type:
    Unknown

    AlogP:
    2.80

    Polar Surface Area:
    125.15

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA4534793

    Name:
    (4aR,6R,6aR,9S,11S,11aS,11bS,12R)-11b-(acetoxymethyl)-11-hydroxy-6-methoxy-Show More

    Mol. Formula:
    C30H45NO9

    M.W.:
    563.69

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
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