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Compounds

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Items 1-20 of 77

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  1. ALA5092740

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-3-oxo-7-vinylShow More⌵

    Mol. Formula:
    C33H48O5

    M.W.:
    524.74

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    6.99

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA5092614

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-7-Ethyl-5-hydroxy-4,7,9,12-tetramethyl-2-methyShow More⌵

    Mol. Formula:
    C23H36O4

    M.W.:
    376.54

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    4.30

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  3. ALA5091982

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C29H45BrO4

    M.W.:
    537.58

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    6.79

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  4. ALA5091976

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-3-oxo-7-vinylShow More⌵

    Mol. Formula:
    C29H40O5

    M.W.:
    468.63

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  5. ALA5091727

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-3-oxo-7-vinylShow More⌵

    Mol. Formula:
    C47H48O7

    M.W.:
    724.89

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    10.82

    Polar Surface Area:
    88.13

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  6. ALA5091430

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-3-oxo-7-vinylShow More⌵

    Mol. Formula:
    C33H50Br2O5

    M.W.:
    686.57

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    8.52

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  7. ALA5091219

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C25H38O5

    M.W.:
    418.57

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA5091140

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C28H35NO6

    M.W.:
    481.59

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    5.28

    Polar Surface Area:
    106.74

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  9. ALA5090892

    Name:
    (3aR,4R,SR,7S,8S,9R,9aS,12R)-2,4,7,9,12-Pentamethyl-3-oxo-7-vinyldecahydro-Show More⌵

    Mol. Formula:
    C35H38F6N2O5

    M.W.:
    680.69

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    8.15

    Polar Surface Area:
    95.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA5090813

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C29H38O5

    M.W.:
    466.62

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA5089319

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-3-oxo-7-vinylShow More⌵

    Mol. Formula:
    C37H38F6O5

    M.W.:
    676.69

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    9.28

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  12. ALA5087915

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C27H41BrO4

    M.W.:
    509.53

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    6.01

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  13. ALA5087901

    Name:
    (3aR,4R,7S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-7-vinylhexahydro-4,Show More⌵

    Mol. Formula:
    C21H28O3

    M.W.:
    328.45

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    51.21

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA5087346

    Name:
    (3aR,4R,5R,7S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-7-vinyShow More⌵

    Mol. Formula:
    C21H30O3

    M.W.:
    330.47

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  15. ALA5086840

    Name:
    (3aR,4R,SR,7R,9R,9aS,12R)-7-Ethyl-5-hydroxy-4,7,9,12-tetramethyl-2-methylenShow More⌵

    Mol. Formula:
    C21H32O3

    M.W.:
    332.48

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    3.94

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  16. ALA5086446

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C34H40O5

    M.W.:
    528.69

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    7.17

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  17. ALA5086004

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C28H36O4

    M.W.:
    436.59

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    5.37

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA5085518

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C29H37BrO4

    M.W.:
    529.52

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    6.44

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  19. ALA5085147

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-4,7,9,12-Tetramethyl-2-methylene-3-oxo-7-vinylShow More⌵

    Mol. Formula:
    C37H58Br2O5

    M.W.:
    742.67

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    10.08

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  20. ALA5084926

    Name:
    (3aR,4R,5R,7S,8S,9R,9aS,12R)-5-Hydroxy-4,7,9,12-tetramethyl-2-methylene-3-oShow More⌵

    Mol. Formula:
    C27H40O4

    M.W.:
    428.61

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    5.25

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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