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  1. ALA4515694

    Name:
    (E)-N-(2-(tert-Butylamino)-1-(3,4-dimethoxyphenyl)
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    Mol. Formula:
    C28H34N2O5

    M.W.:
    478.59

    Type:
    Unknown

    AlogP:
    4.40

    Polar Surface Area:
    84.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA4577957

    Name:
    (E)-N-(2-(tert-Butylamino)-1-(4-methoxyphenyl)-2-o
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    Mol. Formula:
    C27H34N2O4

    M.W.:
    450.58

    Type:
    Unknown

    AlogP:
    4.64

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA4589636

    Name:
    (E)-N-(2-(tert-Butylamino)-2-oxo-1-(3,4,5-trimetho
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    Mol. Formula:
    C30H39FN2O6

    M.W.:
    542.65

    Type:
    Unknown

    AlogP:
    5.12

    Polar Surface Area:
    94.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. ALA4460514

    Name:
    (E)-N-(2-(cyclohexylamino)-2-oxo-1-(p-tolyl)ethyl)
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    Mol. Formula:
    C29H36N2O3

    M.W.:
    460.62

    Type:
    Unknown

    AlogP:
    5.47

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA4459518

    Name:
    (E)-2-((2-(tert-Butylamino)-1-(4-fluorophenyl)-2-o
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    Mol. Formula:
    C25H28F2N2O4

    M.W.:
    458.51

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA4465914

    Name:
    (E)-N-(1-(Benzylamino)-3,3-dimethyl-1-oxobutan-2-y
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    Mol. Formula:
    C27H33FN2O3

    M.W.:
    452.57

    Type:
    Unknown

    AlogP:
    4.92

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA4544484

    Name:
    (E)-N-(2-(cyclohexylamino)-1-(4-fluorophenyl)-2-ox
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    Mol. Formula:
    C28H31FN2O3

    M.W.:
    462.57

    Type:
    Unknown

    AlogP:
    5.05

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  8. ALA4562297

    Name:
    (E)-N-(2-(tert-Butylamino)-1-(4-fluorophenyl)-2-ox
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    Mol. Formula:
    C25H26F2N2O3

    M.W.:
    440.49

    Type:
    Unknown

    AlogP:
    4.35

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  9. ALA4452177

    Name:
    (E)-N-(2-(Benzylamino)-1-(5-methylpyrimidin-2-yl)-
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    Mol. Formula:
    C28H28N4O3

    M.W.:
    468.56

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    92.26

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA4451049

    Name:
    (E)-N-cyclohexyl-N-(2-(cyclohexylamino)-1-(2-metho
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    Mol. Formula:
    C32H40N2O4

    M.W.:
    516.68

    Type:
    Unknown

    AlogP:
    6.09

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  11. ALA4447931

    Name:
    (E)-N-(1-(tert-butylamino)-3,3-dimethyl-1-oxobutan
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    Mol. Formula:
    C25H38N2O3

    M.W.:
    414.59

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA4443061

    Name:
    (E)-N-(2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-o
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    Mol. Formula:
    C30H38N2O4

    M.W.:
    490.64

    Type:
    Unknown

    AlogP:
    5.42

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  13. ALA4439743

    Name:
    rac-(3R,6S)-1-Benzyl-4-cyclohexyl-6-(2-oxo-2-(p-to
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    Mol. Formula:
    C31H33N3O3

    M.W.:
    495.62

    Type:
    Unknown

    AlogP:
    5.28

    Polar Surface Area:
    70.58

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA3703582

    Name:
    US9018255, 8b

    Mol. Formula:
    C18H15Cl2NO3

    M.W.:
    364.23

    Type:
    Small molecule

    AlogP:
    4.02

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA3703581

    Name:
    US9018255, 8a

    Mol. Formula:
    C20H15F6NO3

    M.W.:
    431.33

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  16. ALA3703580

    Name:
    US9018255, 3b

    Mol. Formula:
    C21H26Cl2N2O6

    M.W.:
    473.35

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  17. ALA3703579

    Name:
    US9018255, D-3a

    Mol. Formula:
    C23H26F6N2O6

    M.W.:
    540.46

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  18. ALA3703578

    Name:
    US9018255, 3a

    Mol. Formula:
    C23H26F6N2O6

    M.W.:
    540.46

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
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