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  1. ALA4781866

    Name:
    N-(4-methylpyridin-2-yl)-2-(naphthalen-2-yl)acetam
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    Cas Number:
    1088216-72-1

    Mol. Formula:
    C18H16N2O

    M.W.:
    276.34

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  2. ALA3727926

    Name:
    (Z)-N-(3-(diethylamino)propyl)-2,4-dimethyl-5-((2-
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    Mol. Formula:
    C32H36N6O2

    M.W.:
    536.68

    Type:
    Small molecule

    AlogP:
    5.44

    Polar Surface Area:
    95.05

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA3729089

    Name:
    (S,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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    Mol. Formula:
    C30H32Cl2N6O2

    M.W.:
    579.53

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA3733062

    Name:
    (R,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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    Mol. Formula:
    C30H32Cl2N6O2

    M.W.:
    579.53

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA3732056

    Name:
    (Z)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2,4-dimet
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    Mol. Formula:
    C33H27N7O2

    M.W.:
    553.63

    Type:
    Small molecule

    AlogP:
    5.78

    Polar Surface Area:
    120.49

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  6. ALA3731094

    Name:
    (Z)-N-(2-(1H-imidazol-2-yl)ethyl)-2,4-dimethyl-5-(
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    Mol. Formula:
    C30H27N7O2

    M.W.:
    517.59

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    120.49

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA3728581

    Name:
    (Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazol-
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    Mol. Formula:
    C34H36N6O2

    M.W.:
    560.70

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    95.05

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA3730479

    Name:
    (Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazol-
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    Mol. Formula:
    C36H36Cl2N6O2

    M.W.:
    655.63

    Type:
    Small molecule

    AlogP:
    5.85

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  9. ALA3732058

    Name:
    N-((cis)-3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dimeth
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    Mol. Formula:
    C30H30Cl2N6O2

    M.W.:
    577.52

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. ALA3732061

    Name:
    (Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazol-
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    Mol. Formula:
    C30H32Cl2N6O2

    M.W.:
    579.53

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  11. ALA3730037

    Name:
    (Z)-N-((1-aminocyclopentyl)methyl)-2,4-dimethyl-5-
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    Mol. Formula:
    C31H34Cl2N6O2

    M.W.:
    593.56

    Type:
    Small molecule

    AlogP:
    4.98

    Polar Surface Area:
    117.83

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. ALA3727571

    Name:
    (Z)-N-(2-(diethylamino)ethyl)-N,2,4-trimethyl-5-((
    Show More

    Mol. Formula:
    C32H36N6O2

    M.W.:
    536.68

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    86.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA3731753

    Name:
    (Z)-N-(3-ethoxypropyl)-2,4-dimethyl-5-((2-oxo-5-(1
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    Mol. Formula:
    C30H31N5O3

    M.W.:
    509.61

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    101.04

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  14. ALA3733119

    Name:
    (R,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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    Mol. Formula:
    C30H32Cl2N6O2

    M.W.:
    579.53

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  15. ALA3729168

    Name:
    (S,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
    Show More

    Mol. Formula:
    C30H32Cl2N6O2

    M.W.:
    579.53

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    103.84

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  16. ALA3732483

    Name:
    (Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
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    Mol. Formula:
    C30H33N7O2

    M.W.:
    523.64

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    107.94

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA3728260

    Name:
    (Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
    Show More

    Mol. Formula:
    C31H35N7O4S

    M.W.:
    601.73

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    155.21

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA3732717

    Name:
    (Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
    Show More

    Mol. Formula:
    C28H31N7O2S

    M.W.:
    529.67

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    107.94

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  19. ALA3730786

    Name:
    (Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
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    Mol. Formula:
    C28H31N7O2S

    M.W.:
    529.67

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    107.94

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  20. ALA3730417

    Name:
    (Z)-5-((5-(1-(2-chlorophenyl)-1H-pyrazol-4-yl)-2-o
    Show More

    Mol. Formula:
    C31H33ClN6O2

    M.W.:
    557.10

    Type:
    Small molecule

    AlogP:
    5.70

    Polar Surface Area:
    95.05

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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