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  1. ALA4287655

    Name:
    4-(4-Formylphenoxy)benzamide

    Mol. Formula:
    C14H11NO3

    M.W.:
    241.25

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    69.39

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  2. AZ 6102

    Name:
    2-(4-(6-((3S,5R)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7Show More

    Mol. Formula:
    C25H28N6O

    M.W.:
    428.54

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    78.84

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  3. UPF 1069

    Name:
    5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one

    Mol. Formula:
    C17H13NO3

    M.W.:
    279.30

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    59.16

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  4. ALA3663650

    Name:
    US9073893, 22

    Mol. Formula:
    C20H27FN4O2

    M.W.:
    374.46

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    73.26

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  5. ALA3593716

    Name:
    2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one

    Mol. Formula:
    C13H20N4O

    M.W.:
    248.33

    Type:
    Small molecule

    AlogP:
    0.40

    Polar Surface Area:
    52.23

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. ALA3593715

    Name:
    2-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)Show More

    Mol. Formula:
    C18H23N5O

    M.W.:
    325.42

    Type:
    Small molecule

    AlogP:
    1.37

    Polar Surface Area:
    65.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  7. 3,5,7,8-tetrahydro-2-methyl-4h-thiopyrano(4,3-d)pyrimidin-4-one

    Name:
    2-methyl-7,8-dihydro-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one

    Mol. Formula:
    C8H10N2OS

    M.W.:
    182.25

    Type:
    Small molecule

    AlogP:
    0.87

    Polar Surface Area:
    45.75

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
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