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  1. ALA1099278

    Name:
    2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa
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    Mol. Formula:
    C22H28O3

    M.W.:
    340.46

    Type:
    Small molecule

    AlogP:
    5.77

    Polar Surface Area:
    53.60

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA5206782

    Name:
    (R,S)-(3-Hydroxy-2-methyl-2-(phosphonomethoxy)prop
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    Mol. Formula:
    C15H30N3O7P

    M.W.:
    395.39

    Type:
    ---

    AlogP:
    -1.56

    Polar Surface Area:
    141.85

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  3. ALA5200809

    Name:
    (R,S)-(3-Hydroxy-2-methyl-2-(phosphonomethoxy)prop
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    Mol. Formula:
    C15H31N4O6P

    M.W.:
    394.41

    Type:
    ---

    AlogP:
    -1.27

    Polar Surface Area:
    147.90

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA5184850

    Name:
    (R,S)-(3-Hydroxy-2-methy1-2-(phosphonomethoxy)prop
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    Mol. Formula:
    C16H31N6O5P

    M.W.:
    418.44

    Type:
    ---

    AlogP:
    -0.69

    Polar Surface Area:
    156.61

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA5183679

    Name:
    (R,S)-(2-Ethynyl-3-hydroxy-2-(phosphonomethoxy)pro
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    Mol. Formula:
    C16H28N3O7P

    M.W.:
    405.39

    Type:
    ---

    AlogP:
    -1.95

    Polar Surface Area:
    141.85

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA5182963

    Name:
    (R,S)-(3-Hydroxy-2-methyl-2-(phosphonomethoxy)prop
    Show More

    Mol. Formula:
    C16H31N6O6P

    M.W.:
    434.43

    Type:
    ---

    AlogP:
    -1.40

    Polar Surface Area:
    176.58

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  7. ALA5176564

    Name:
    (R,S)-(2-Ethynyl-3-hydroxy-2-(phosphonomethoxy)pro
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    Mol. Formula:
    C17H29N6O6P

    M.W.:
    444.43

    Type:
    ---

    AlogP:
    -1.78

    Polar Surface Area:
    176.58

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  8. ALA5176197

    Name:
    (R,S)-(2-Ethyny1-3-hydroxy-2-(phosphonomethoxy)pro
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    Mol. Formula:
    C17H30N3O7P

    M.W.:
    419.42

    Type:
    ---

    AlogP:
    -1.64

    Polar Surface Area:
    141.85

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA5172019

    Name:
    (R,S)-(2-Ethyny1-3-hydroxy-2-(phosphonomethoxy)pro
    Show More

    Mol. Formula:
    C17H29N6O5P

    M.W.:
    428.43

    Type:
    ---

    AlogP:
    -1.08

    Polar Surface Area:
    156.61

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA5171270

    Name:
    (R,S)-(3-Hydroxy-2-methyl-2-(phosphonomethoxy)prop
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    Mol. Formula:
    C16H32N3O7P

    M.W.:
    409.42

    Type:
    ---

    AlogP:
    -1.25

    Polar Surface Area:
    141.85

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA5169892

    Name:
    (R,S)-(2-Ethynyl-3-hydroxy-2-(phosphonomethoxy)pro
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    Mol. Formula:
    C16H29N4O6P

    M.W.:
    404.40

    Type:
    ---

    AlogP:
    -1.66

    Polar Surface Area:
    147.90

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA5093201

    Name:
    Mannan

    Cas Number:
    9036-88-8

    Mol. Formula:
    C24H42O21

    M.W.:
    666.58

    Type:
    Unknown

    AlogP:
    -9.75

    Polar Surface Area:
    347.83

    HBA:
    21

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  13. ALA3810042

    Name:
    N-(1-(2-(isopropoxy(3-(trifluoromethyl)phenyl)meth
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    Mol. Formula:
    C23H20F3N5O3S

    M.W.:
    503.51

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    101.90

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA3808401

    Name:
    N-(1-(2-(1-hydroxy-3-methyl-1-(3-(trifluoromethyl)
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    Mol. Formula:
    C24H22F3N5O3S

    M.W.:
    517.53

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    112.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  15. ALA3809367

    Name:
    N-(1-(2-(1-hydroxy-1-p-tolylethyl)-1H-imidazol-4-y
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    Mol. Formula:
    C21H19N5O3S

    M.W.:
    421.48

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    112.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  16. ALA3810414

    Name:
    N-(1-(2-(1-hydroxy-1-m-tolylethyl)-1H-imidazol-4-y
    Show More

    Mol. Formula:
    C21H19N5O3S

    M.W.:
    421.48

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    112.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA3808805

    Name:
    N-(1-(2-(1-hydroxy-1-(3-(trifluoromethyl)phenyl)et
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    Mol. Formula:
    C21H16F3N5O3S

    M.W.:
    475.45

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    112.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  18. ALA3809890

    Name:
    N-(1-(2-(hydroxy(3-(trifluoromethyl)phenyl)methyl)
    Show More

    Mol. Formula:
    C20H14F3N5O3S

    M.W.:
    461.43

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    112.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA3810245

    Name:
    N-(2-oxo-1-(2-(1-(3-(trifluoromethyl)phenyl)ethyl)
    Show More

    Mol. Formula:
    C21H16F3N5O2S

    M.W.:
    459.45

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    92.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  20. ALA3808842

    Name:
    N-(2-oxo-1-(1-(1-(3-(trifluoromethyl)phenyl)ethyl)
    Show More

    Mol. Formula:
    C21H16F3N5O2S

    M.W.:
    459.45

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    81.81

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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