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  1. ALA5283886

    Name:
    ((1S,2S,4S,5S)-4-(2-iodo-6-(methylamino)-9H-purin-
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    Mol. Formula:
    C13H18IN5O8P2

    M.W.:
    561.17

    Type:
    ---

    AlogP:
    1.01

    Polar Surface Area:
    189.15

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  2. ALA1096400

    Name:
    diammonium (2R,3S,5R)-2-[(hydrogen phosphonatooxy)
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    Mol. Formula:
    C11H23N7O9P2

    M.W.:
    459.29

    Type:
    Small molecule

    AlogP:
    -0.26

    Polar Surface Area:
    198.38

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA5276113

    Name:
    ((1S,2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-(phosph
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    Mol. Formula:
    C12H17N5O8P2

    M.W.:
    421.24

    Type:
    ---

    AlogP:
    -0.27

    Polar Surface Area:
    203.14

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA5269533

    Name:
    ((1S,2S,4S,5S)-4-(6-amino-9H-purin-9-yl)-2-(phosph
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    Mol. Formula:
    C12H17N5O8P2

    M.W.:
    421.24

    Type:
    ---

    AlogP:
    -0.05

    Polar Surface Area:
    203.14

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. ALA4294630

    Name:
    1-(2-(2-tert-butylphenoxy)phenyl)-3-(4-(trifluorom
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    Mol. Formula:
    C24H23F3N2O3

    M.W.:
    444.45

    Type:
    Small molecule

    AlogP:
    7.32

    Polar Surface Area:
    59.59

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA4292253

    Name:
    benzyl 5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)u
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    Mol. Formula:
    C28H27N3O4S

    M.W.:
    501.61

    Type:
    Small molecule

    AlogP:
    7.23

    Polar Surface Area:
    89.55

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA4291162

    Name:
    5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)ureido)-
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    Mol. Formula:
    C27H33N5O4S

    M.W.:
    523.66

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    104.82

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA4288847

    Name:
    2-(piperidin-1-yl)ethyl 5-(3-(2-(2-tert-butylpheno
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    Mol. Formula:
    C28H34N4O4S

    M.W.:
    522.67

    Type:
    Small molecule

    AlogP:
    6.52

    Polar Surface Area:
    92.79

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA4287760

    Name:
    1-butyl-3-(2-(2-tert-butylphenoxy)pyridin-3-yl)ure
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    Mol. Formula:
    C20H27N3O2

    M.W.:
    341.46

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    63.25

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA4287333

    Name:
    1-(Adamantan-2-yl)-3-(2-(2-(tert-butyl)phenoxy)pyr
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    Mol. Formula:
    C26H33N3O2

    M.W.:
    419.57

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    63.25

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA4284352

    Name:
    ethyl 5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)ur
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    Mol. Formula:
    C23H25N3O4S

    M.W.:
    439.54

    Type:
    Small molecule

    AlogP:
    6.05

    Polar Surface Area:
    89.55

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA4284032

    Name:
    1-(2-(2-tert-butylphenoxy)-4-methylphenyl)-3-(4-(t
    Show More

    Mol. Formula:
    C25H25F3N2O3

    M.W.:
    458.48

    Type:
    Small molecule

    AlogP:
    7.63

    Polar Surface Area:
    59.59

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  13. ALA4280945

    Name:
    2-morpholinoethyl 5-(3-(2-(2-tert-butylphenoxy)pyr
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    Mol. Formula:
    C27H32N4O5S

    M.W.:
    524.64

    Type:
    Small molecule

    AlogP:
    5.37

    Polar Surface Area:
    102.02

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA4280909

    Name:
    1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-(2-methy
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    Mol. Formula:
    C23H31N3O2

    M.W.:
    381.52

    Type:
    Small molecule

    AlogP:
    5.87

    Polar Surface Area:
    63.25

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA4280527

    Name:
    1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-(5-cyano
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    Mol. Formula:
    C21H20N4O2S

    M.W.:
    392.48

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    87.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  16. ALA4279409

    Name:
    1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-cyclopen
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    Mol. Formula:
    C21H27N3O2

    M.W.:
    353.47

    Type:
    Small molecule

    AlogP:
    5.24

    Polar Surface Area:
    63.25

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA4278771

    Name:
    methyl 5-(3-(2-(2-tert-butylphenoxy)pyridin-3-yl)u
    Show More

    Mol. Formula:
    C22H23N3O4S

    M.W.:
    425.51

    Type:
    Small molecule

    AlogP:
    5.66

    Polar Surface Area:
    89.55

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA4277104

    Name:
    1-(2-(2-tert-butylphenoxy)pyridin-3-yl)-3-((1r,4r)
    Show More

    Mol. Formula:
    C23H31N3O2

    M.W.:
    381.52

    Type:
    Small molecule

    AlogP:
    5.87

    Polar Surface Area:
    63.25

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA4276825

    Name:
    1-(2-(2-tert-butylphenoxy)-6-methylpyridin-3-yl)-3
    Show More

    Mol. Formula:
    C24H24F3N3O3

    M.W.:
    459.47

    Type:
    Small molecule

    AlogP:
    7.02

    Polar Surface Area:
    72.48

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  20. ALA4214232

    Name:
    Phosphoric acid mono-[(1S,2R,4R)-4-(6-methylamino-
    Show More

    Mol. Formula:
    C12H19N5O8P2

    M.W.:
    423.26

    Type:
    Small molecule

    AlogP:
    0.41

    Polar Surface Area:
    189.15

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
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