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  1. ALA5277676

    Name:
    3-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-1-ethyl-1-nitrosourShow More

    Mol. Formula:
    C17H16N4O4

    M.W.:
    340.34

    Type:
    ---

    AlogP:
    2.15

    Polar Surface Area:
    99.15

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  2. ALA3275885

    Name:
    2,6-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)-4-methylcyclohexanone

    Mol. Formula:
    C39H40O7

    M.W.:
    620.74

    Type:
    Small molecule

    AlogP:
    8.35

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. ALA3275884

    Name:
    2,6-bis(4-hydroxy-3,5-dimethoxybenzylidene)-4-methylcyclohexanone

    Mol. Formula:
    C25H28O7

    M.W.:
    440.49

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    94.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA3275883

    Name:
    2,6-bis(4-(benzyloxy)-3-methoxybenzylidene)-4-methylcyclohexanone

    Mol. Formula:
    C37H36O5

    M.W.:
    560.69

    Type:
    Small molecule

    AlogP:
    8.33

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA3275882

    Name:
    2,6-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)-3-methylcyclohexanone

    Mol. Formula:
    C39H40O7

    M.W.:
    620.74

    Type:
    Small molecule

    AlogP:
    8.35

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  6. ALA3275881

    Name:
    2,6-bis(4-hydroxy-3,5-dimethoxybenzylidene)-3-methylcyclohexanone

    Mol. Formula:
    C25H28O7

    M.W.:
    440.49

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    94.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  7. ALA3275880

    Name:
    2,6-bis(4-(benzyloxy)-3-methoxybenzylidene)-3-methylcyclohexanone

    Mol. Formula:
    C37H36O5

    M.W.:
    560.69

    Type:
    Small molecule

    AlogP:
    8.33

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA3275879

    Name:
    2,6-bis(4-hydroxy-3-methoxybenzylidene)-3-methylcyclohexanone

    Mol. Formula:
    C23H24O5

    M.W.:
    380.44

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  9. ALA3275878

    Name:
    2,6-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)cyclohexanone

    Mol. Formula:
    C38H38O7

    M.W.:
    606.72

    Type:
    Small molecule

    AlogP:
    8.10

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  10. ALA3275877

    Name:
    2,6-bis(4-(benzyloxy)-3-methoxybenzylidene)cyclohexanone

    Mol. Formula:
    C36H34O5

    M.W.:
    546.66

    Type:
    Small molecule

    AlogP:
    8.08

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA3275876

    Name:
    2,5-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)cyclopentanone

    Mol. Formula:
    C37H36O7

    M.W.:
    592.69

    Type:
    Small molecule

    AlogP:
    7.71

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  12. ALA3275875

    Name:
    2,5-bis(4-(benzyloxy)-3-methoxybenzylidene)cyclopentanone

    Mol. Formula:
    C35H32O5

    M.W.:
    532.64

    Type:
    Small molecule

    AlogP:
    7.69

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. ALA3275874

    Name:
    2-(3-(4-hydroxy-3-methoxyphenyl)allylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C19H14O4

    M.W.:
    306.32

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. ALA3275873

    Name:
    2-(3-phenylallylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C18H12O2

    M.W.:
    260.29

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA3275872

    Name:
    2-(4-(benzyloxy)-3,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C25H20O5

    M.W.:
    400.43

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA3275871

    Name:
    2-(4-(benzyloxy)-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C24H18O4

    M.W.:
    370.40

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA3275870

    Name:
    2-(3,4-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C18H14O4

    M.W.:
    294.31

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA3275869

    Name:
    2-(4'-hydroxy-3',5'-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C18H14O5

    M.W.:
    310.31

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA3275868

    Name:
    2-(4-hydroxybenzylidene)-1H-indene-1,3(2H)-dione

    Mol. Formula:
    C16H10O3

    M.W.:
    250.25

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  20. ALA3275867

    Name:
    2-(4-(benzyloxy)-3,5-dimethoxybenzylidene)cyclopent-4-ene-1,3-dione

    Mol. Formula:
    C21H18O5

    M.W.:
    350.37

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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