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  1. ALA5219557

    Name:
    4-[7-(diethylamino)-2-imino-chromen-3-yl]-6-(4-phenylpiperazin-1-yl)-1,3,5-Show More

    Mol. Formula:
    C26H30N8O

    M.W.:
    470.58

    Type:
    ---

    AlogP:
    3.52

    Polar Surface Area:
    111.40

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. ALA4878409

    Name:
    5-bromo-4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methShow More

    Mol. Formula:
    C30H35BrF2N6O2

    M.W.:
    629.55

    Type:
    Unknown

    AlogP:
    4.57

    Polar Surface Area:
    76.99

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. ALA4876274

    Name:
    4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[[(3R)-3-fluoropyrrolidin-1-Show More

    Mol. Formula:
    C32H38FIN6O2

    M.W.:
    684.60

    Type:
    Unknown

    AlogP:
    4.65

    Polar Surface Area:
    76.99

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA4875572

    Name:
    5-bromo-4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[[(3R)-3-fluoropyrroShow More

    Mol. Formula:
    C32H38BrFN6O2

    M.W.:
    637.60

    Type:
    Unknown

    AlogP:
    4.80

    Polar Surface Area:
    76.99

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA4872714

    Name:
    5-bromo-4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-(morpholinomethyl)cyShow More

    Mol. Formula:
    C32H39BrN6O3

    M.W.:
    635.61

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    86.22

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA4869200

    Name:
    4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-(morpholinomethyl)cyclopropyShow More

    Mol. Formula:
    C32H39IN6O3

    M.W.:
    682.61

    Type:
    Unknown

    AlogP:
    3.93

    Polar Surface Area:
    86.22

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA4857517

    Name:
    4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-(morpholinomethyl)cyclopropyShow More

    Mol. Formula:
    C33H42N6O3

    M.W.:
    570.74

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    86.22

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  8. ALA4853619

    Name:
    5-bromo-4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[(2S,4R)-4-fluoro-1-metShow More

    Mol. Formula:
    C29H34BrFN6O2

    M.W.:
    597.53

    Type:
    Unknown

    AlogP:
    4.02

    Polar Surface Area:
    76.99

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  9. ALA4852554

    Name:
    4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cycloShow More

    Mol. Formula:
    C31H33F2N5O2

    M.W.:
    545.63

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    73.75

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  10. ALA4849611

    Name:
    4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cycloShow More

    Mol. Formula:
    C30H37IN6O2

    M.W.:
    640.57

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    76.99

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA3347687

    Name:
    4-(bis(2-methoxyethyl)amino)-7H-pyrido[4,3,2-de][1,7]phenanthrolin-7-one

    Mol. Formula:
    C20H20N4O3

    M.W.:
    364.41

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    77.44

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA3347506

    Name:
    4-(piperidin-1-yl)-7H-pyrido[4,3,2-de][1,7]phenanthrolin-7-one

    Mol. Formula:
    C19H16N4O

    M.W.:
    316.36

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    58.98

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  13. ALA84

    Name:
    10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diShow More

    Mol. Formula:
    C23H23N3O5

    M.W.:
    421.45

    Type:
    Small molecule

    AlogP:
    1.85

    Polar Surface Area:
    104.89

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
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