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  1. ALA5278813

    Name:
    (4R)-3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydr
    Show More

    Mol. Formula:
    C14H14N4O

    M.W.:
    254.29

    Type:
    ---

    AlogP:
    1.73

    Polar Surface Area:
    59.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  2. ALA3985226

    Name:
    US9242982, 1k

    Mol. Formula:
    C16H14BrN3O3

    M.W.:
    376.21

    Type:
    Small molecule

    AlogP:
    1.28

    Polar Surface Area:
    76.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  3. ALA3979496

    Name:
    US9242982, 1i

    Mol. Formula:
    C16H14BrN3O3

    M.W.:
    376.21

    Type:
    Small molecule

    AlogP:
    1.28

    Polar Surface Area:
    76.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA5283704

    Name:
    6,7-dichloro-3-hydroxy-1H,2H,3H,5H-imidazo[2,1-b]q
    Show More

    Mol. Formula:
    C10H7Cl2N3O2

    M.W.:
    272.09

    Type:
    ---

    AlogP:
    1.24

    Polar Surface Area:
    64.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA3971376

    Name:
    US9242982, 1c

    Mol. Formula:
    C16H14FN3O3

    M.W.:
    315.30

    Type:
    Small molecule

    AlogP:
    0.66

    Polar Surface Area:
    76.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  6. ALA3957485

    Name:
    US9249139, 1e

    Mol. Formula:
    C18H18ClNO3

    M.W.:
    331.80

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  7. ALA3936499

    Name:
    US9249139, 1a

    Mol. Formula:
    C18H19NO3

    M.W.:
    297.35

    Type:
    Small molecule

    AlogP:
    2.56

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  8. ALA3932846

    Name:
    US9249139, 1c

    Mol. Formula:
    C18H18FNO3

    M.W.:
    315.34

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  9. ALA3930842

    Name:
    US9249139, 1j

    Mol. Formula:
    C18H18BrNO3

    M.W.:
    376.25

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA3921868

    Name:
    US9242982, 1g

    Mol. Formula:
    C16H14ClN3O3

    M.W.:
    331.76

    Type:
    Small molecule

    AlogP:
    1.17

    Polar Surface Area:
    76.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  11. ALA3921630

    Name:
    US9249139, 1h

    Mol. Formula:
    C18H17Cl2NO3

    M.W.:
    366.24

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA3921025

    Name:
    US9249139, 1d

    Mol. Formula:
    C18H18FNO3

    M.W.:
    315.34

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  13. ALA3911597

    Name:
    US9249139, 1k

    Mol. Formula:
    C18H18BrNO3

    M.W.:
    376.25

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  14. ALA3903734

    Name:
    US9242982, 1b

    Mol. Formula:
    C16H14FN3O3

    M.W.:
    315.30

    Type:
    Small molecule

    AlogP:
    0.66

    Polar Surface Area:
    76.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA3892147

    Name:
    US9242982, 1a

    Mol. Formula:
    C16H15N3O3

    M.W.:
    297.31

    Type:
    Small molecule

    AlogP:
    0.52

    Polar Surface Area:
    76.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  16. ALA3890071

    Name:
    US9249139, 1g

    Mol. Formula:
    C18H18ClNO3

    M.W.:
    331.80

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    48.30

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  17. ALA3144657

    Name:
    2-Butyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one

    Mol. Formula:
    C14H15N3O

    M.W.:
    241.29

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    50.68

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  18. ALA2114202

    Name:
    6-Pyridin-4-yl-5-trifluoromethyl-1,3-dihydro-imida
    Show More

    Mol. Formula:
    C13H7F5N4O

    M.W.:
    330.22

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    74.69

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  19. ALA2112000

    Name:
    5-Methyl-1H-[1,6]naphthyridin-2-one

    Mol. Formula:
    C9H8N2O2

    M.W.:
    176.17

    Type:
    Small molecule

    AlogP:
    0.47

    Polar Surface Area:
    59.80

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.47

    DETAILS
  20. ALA2069992

    Name:
    5-(4-bromobenzyl)-6-oxo-2-phenyl-1,6-dihydropyridi
    Show More

    Mol. Formula:
    C19H13BrN2O

    M.W.:
    365.23

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    56.65

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
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