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  1. ALA4879383

    Name:
    2-(2-(butylthio)-6-phenylpyrimidin-4-yl)-1H-benzo[
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    Mol. Formula:
    C21H20N4S

    M.W.:
    360.49

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. ALA4878921

    Name:
    2-(2-(butylthio)-6-(4-chlorophenyl)pyrimidin-4-yl)
    Show More

    Mol. Formula:
    C21H19ClN4S

    M.W.:
    394.93

    Type:
    Unknown

    AlogP:
    6.23

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  3. ALA4875976

    Name:
    2-(2-(butylthio)-6-(4-fluorophenyl)pyrimidin-4-yl)
    Show More

    Mol. Formula:
    C21H19FN4S

    M.W.:
    378.48

    Type:
    Unknown

    AlogP:
    5.72

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA4874929

    Name:
    2-(2-(methylthio)-6-phenylpyrimidin-4-yl)-1H-benzo
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    Mol. Formula:
    C18H14N4S

    M.W.:
    318.41

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA5287095

    Name:
    2,3-dimethyl-7-(propan-2-yloxy)-4H-furo[3,2-c]chro
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    Mol. Formula:
    C16H16O4

    M.W.:
    272.30

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    52.58

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. ALA5285371

    Name:
    2,3-dimethyl-7-(prop-2-en-1-yloxy)-4H-furo[3,2-c]c
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    Mol. Formula:
    C16H14O4

    M.W.:
    270.28

    Type:
    ---

    AlogP:
    3.72

    Polar Surface Area:
    52.58

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA5279857

    Name:
    7-ethoxy-2,3-dimethyl-4H-furo[3,2-c]chromen-4-one

    Mol. Formula:
    C15H14O4

    M.W.:
    258.27

    Type:
    ---

    AlogP:
    3.55

    Polar Surface Area:
    52.58

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  8. ALA4867378

    Name:
    2-(6-(4-chlorophenyl)-2-(methylthio)pyrimidin-4-yl
    Show More

    Mol. Formula:
    C18H13ClN4S

    M.W.:
    352.85

    Type:
    Unknown

    AlogP:
    5.06

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA4866470

    Name:
    2-(2-(benzylthio)-6-(4-chlorophenyl)pyrimidin-4-yl
    Show More

    Mol. Formula:
    C24H17ClN4S

    M.W.:
    428.95

    Type:
    Unknown

    AlogP:
    6.63

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  10. ALA4857121

    Name:
    2-(2-(benzylthio)-6-(4-fluorophenyl)pyrimidin-4-yl
    Show More

    Mol. Formula:
    C24H17FN4S

    M.W.:
    412.49

    Type:
    Unknown

    AlogP:
    6.12

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA4862804

    Name:
    2-(6-(4-methoxyphenyl)-2-(methylthio)pyrimidin-4-y
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    Mol. Formula:
    C19H16N4OS

    M.W.:
    348.43

    Type:
    Unknown

    AlogP:
    4.42

    Polar Surface Area:
    63.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA4868207

    Name:
    2-(2-(benzylthio)-6-(4-methoxyphenyl)pyrimidin-4-y
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    Mol. Formula:
    C25H20N4OS

    M.W.:
    424.53

    Type:
    Unknown

    AlogP:
    5.99

    Polar Surface Area:
    63.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  13. ALA3741498

    Name:
    5-chloro-6-(2,6-difluorophenyl)-1-isobutyl-3-(1-me
    Show More

    Mol. Formula:
    C18H17ClF2N4O

    M.W.:
    378.81

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    52.71

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  14. ALA3742016

    Name:
    (S)-5-chloro-6-(2,6-difluorophenyl)-3-(1H-imidazol
    Show More

    Mol. Formula:
    C18H17ClF2N4O

    M.W.:
    378.81

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    52.71

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  15. ALA2289387

    Name:
    3-[2-(2,5-dimethylphenoxymethyl)-alpha-methoxyimin
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    Mol. Formula:
    C20H20N2O3

    M.W.:
    336.39

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    56.85

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA2289386

    Name:
    (Z)-(2-((4-chloro-2-methylphenoxy)methyl)phenyl)(1
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    Mol. Formula:
    C18H16ClN3O3

    M.W.:
    357.80

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    69.74

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  17. ALA2289385

    Name:
    (Z)-(2-((4-chloro-2-methylphenoxy)methyl)phenyl)(1
    Show More

    Mol. Formula:
    C20H20ClN3O2

    M.W.:
    369.85

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    48.64

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  18. ALA2289384

    Name:
    (E)-(2-((4-chloro-2-methylphenoxy)methyl)phenyl)(1
    Show More

    Mol. Formula:
    C18H16ClN3O3

    M.W.:
    357.80

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    69.74

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  19. ALA2289383

    Name:
    (E)-(2-((2,5-dichlorophenoxy)methyl)phenyl)(1,3,4-
    Show More

    Mol. Formula:
    C17H13Cl2N3O3

    M.W.:
    378.21

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    69.74

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA2285711

    Name:
    (E)-(2-((2,4-dichlorophenoxy)methyl)phenyl)(1,3,4-
    Show More

    Mol. Formula:
    C17H13Cl2N3O3

    M.W.:
    378.21

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    69.74

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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