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  1. ALA4879152

    Name:
    (3R,3aR,6R,6aR)-3,6-bis(4-hydroxy-3,5-dimethoxyphe
    Show More

    Mol. Formula:
    C22H22O10

    M.W.:
    446.41

    Type:
    Unknown

    AlogP:
    2.26

    Polar Surface Area:
    129.98

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA4878999

    Name:
    NA

    Mol. Formula:
    C17H12BrN3O3S

    M.W.:
    418.27

    Type:
    Unknown

    AlogP:
    3.65

    Polar Surface Area:
    63.49

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA4877437

    Name:
    NA

    Mol. Formula:
    C22H20O7

    M.W.:
    396.40

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    88.13

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA4877315

    Name:
    NA

    Mol. Formula:
    C17H17NO6S

    M.W.:
    363.39

    Type:
    Unknown

    AlogP:
    0.52

    Polar Surface Area:
    98.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  5. ALA4875967

    Name:
    2-[2-[[4-(4-methoxyphenyl)-3H-thiazol-2-ylidene]hy
    Show More

    Mol. Formula:
    C20H16N4O3S

    M.W.:
    392.44

    Type:
    Unknown

    AlogP:
    2.93

    Polar Surface Area:
    87.12

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA4872006

    Name:
    2-(2-methoxyphenyl)-4,5-bis(4-methoxyphenyl)-1H-im
    Show More

    Mol. Formula:
    C24H22N2O3

    M.W.:
    386.45

    Type:
    Unknown

    AlogP:
    5.44

    Polar Surface Area:
    56.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  7. ALA4871966

    Name:
    NA

    Mol. Formula:
    C29H20N4O3S

    M.W.:
    504.57

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    104.87

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  8. ALA4871765

    Name:
    N-benzyl-N-[[6-(chloromethyl)-7-nitro-1,2,3,4-tetr
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    Mol. Formula:
    C21H26ClN3O2

    M.W.:
    387.91

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    58.41

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA4871407

    Name:
    NA

    Cas Number:
    680212-43-5

    Mol. Formula:
    C6H6BrN3O4S

    M.W.:
    296.10

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    98.31

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA4870668

    Name:
    Mallophenol

    Mol. Formula:
    C26H34O12

    M.W.:
    538.55

    Type:
    Unknown

    AlogP:
    0.41

    Polar Surface Area:
    203.44

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  11. ALA4870319

    Name:
    2-[4-(4-bromophenyl)-1H-imidazol-2-yl]pyridine

    Cas Number:
    1211593-39-3

    Mol. Formula:
    C14H10BrN3

    M.W.:
    300.16

    Type:
    Unknown

    AlogP:
    3.90

    Polar Surface Area:
    41.57

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  12. ALA4870262

    Name:
    NA

    Mol. Formula:
    C19H9Cl2F6N3O3S

    M.W.:
    544.26

    Type:
    Unknown

    AlogP:
    6.51

    Polar Surface Area:
    72.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  13. ALA5287595

    Name:
    4-cyano-N-(3,4-dimethoxyphenyl)benzamide

    Mol. Formula:
    C16H14N2O3

    M.W.:
    282.30

    Type:
    ---

    AlogP:
    2.83

    Polar Surface Area:
    71.35

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  14. ALA5286402

    Name:
    N-(3,4-dimethoxyphenyl)benzamide

    Mol. Formula:
    C15H15NO3

    M.W.:
    257.29

    Type:
    ---

    AlogP:
    2.96

    Polar Surface Area:
    47.56

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  15. ALA5286268

    Name:
    N-(3,4-dichlorophenyl)-4-(trifluoromethyl)benzamid
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    Mol. Formula:
    C14H8Cl2F3NO

    M.W.:
    334.12

    Type:
    ---

    AlogP:
    5.26

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA5285382

    Name:
    (2Z)-2-[(1-methylindol-3-yl)methylene]benzofuran-3
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    Mol. Formula:
    C18H13NO2

    M.W.:
    275.31

    Type:
    ---

    AlogP:
    3.79

    Polar Surface Area:
    31.23

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  17. ALA5284299

    Name:
    4-cyano-N-phenylbenzamide

    Mol. Formula:
    C14H10N2O

    M.W.:
    222.25

    Type:
    ---

    AlogP:
    2.81

    Polar Surface Area:
    52.89

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.85

    DETAILS
  18. ALA5283247

    Name:
    4-cyano-N-(3,4-dimethylphenyl)benzamide

    Mol. Formula:
    C16H14N2O

    M.W.:
    250.30

    Type:
    ---

    AlogP:
    3.43

    Polar Surface Area:
    52.89

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  19. ALA5281760

    Name:
    N-(3,4-difluorophenyl)-4-fluorobenzamide

    Mol. Formula:
    C13H8F3NO

    M.W.:
    251.21

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  20. ALA5281442

    Name:
    N-(3,4-dimethylphenyl)-4-(trifluoromethyl)benzamid
    Show More

    Mol. Formula:
    C16H14F3NO

    M.W.:
    293.29

    Type:
    ---

    AlogP:
    4.57

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
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