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  1. ALA2285699

    Name:
    N-(4-chloro-2-methyl-6-(2-methyl-1-(S-methylsulfonimidoyl)propan-2-ylcarbamShow More

    Mol. Formula:
    C24H25Cl2F3N6O4S

    M.W.:
    621.47

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    139.06

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA2288194

    Name:
    N-(4-chloro-2-methyl-6-(2-methyl-1-(S-methylsulfonimidoyl)propan-2-ylcarbamShow More

    Mol. Formula:
    C23H23Cl2F3N6O3S

    M.W.:
    591.44

    Type:
    Small molecule

    AlogP:
    5.34

    Polar Surface Area:
    129.83

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA2271741

    Name:
    3-detigloylisoswietenine

    Mol. Formula:
    C27H34O8

    M.W.:
    486.56

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    123.27

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA2271740

    Name:
    demethyl-3-detigloylisoswietenine

    Mol. Formula:
    C26H32O8

    M.W.:
    472.53

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    134.27

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA2271739

    Name:
    6-O-benzoylswietenine

    Mol. Formula:
    C39H44O10

    M.W.:
    672.77

    Type:
    Small molecule

    AlogP:
    6.57

    Polar Surface Area:
    135.41

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  6. ALA2271738

    Name:
    demethylisoswietenolide

    Mol. Formula:
    C26H32O9

    M.W.:
    488.53

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    143.50

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  7. ALA2271737

    Name:
    3,6-O,O-ditert-butylacetylswietenolide

    Mol. Formula:
    C33H44O9

    M.W.:
    584.71

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    129.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA2271732

    Name:
    3-O-propionylswietenolide

    Mol. Formula:
    C30H38O9

    M.W.:
    542.63

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    129.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA2271730

    Name:
    3-O-benzoylswietenolide

    Mol. Formula:
    C34H38O9

    M.W.:
    590.67

    Type:
    Small molecule

    AlogP:
    4.99

    Polar Surface Area:
    129.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA2271729

    Name:
    6-O-benzoylswietenolide

    Mol. Formula:
    C34H38O9

    M.W.:
    590.67

    Type:
    Small molecule

    AlogP:
    4.99

    Polar Surface Area:
    129.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  11. ALA2271728

    Name:
    3,6-O,O-dibenzoylswietenolide

    Mol. Formula:
    C41H42O10

    M.W.:
    694.78

    Type:
    Small molecule

    AlogP:
    6.85

    Polar Surface Area:
    135.41

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  12. ALA2271727

    Name:
    2-hydroxyswietenine

    Mol. Formula:
    C32H40O10

    M.W.:
    584.66

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    149.57

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  13. ALA2271724

    Name:
    3-detigloylisoswietemahonin G

    Mol. Formula:
    C27H34O9

    M.W.:
    502.56

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    135.80

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  14. ALA2271723

    Name:
    3,6-O,Odibenzoyl-3-detigloyl-2-hydroxyisoswietenine

    Mol. Formula:
    C41H42O11

    M.W.:
    710.78

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    155.64

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  15. ALA2271722

    Name:
    3,6-O,O-dipropionyl-3-detigloyl-2-hydroxyisoswietenine

    Mol. Formula:
    C33H42O11

    M.W.:
    614.69

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    155.64

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  16. ALA2271721

    Name:
    3-detigloyl-2-hydroxyisoswietenine

    Mol. Formula:
    C27H34O9

    M.W.:
    502.56

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    143.50

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  17. ALA2271720

    Name:
    demethyl-3-detigloyl-2-hydroxyisoswietenine

    Mol. Formula:
    C26H32O9

    M.W.:
    488.53

    Type:
    Small molecule

    AlogP:
    2.01

    Polar Surface Area:
    154.50

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  18. ALA2271719

    Name:
    3-O-propionyl-3-detigloylisoswietenine

    Mol. Formula:
    C30H38O9

    M.W.:
    542.63

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    129.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA2271718

    Name:
    3,6-O,O-dibenzoyl-3-detigloylisoswietenine

    Mol. Formula:
    C41H42O10

    M.W.:
    694.78

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    135.41

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  20. ALA2271717

    Name:
    3-O-benzoyl-3-detigloylisoswietenine

    Mol. Formula:
    C34H38O9

    M.W.:
    590.67

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    129.34

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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