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  1. ALA5284763

    Name:
    2-(4-hydroxy-3-methoxybenzylidene)-7,7-dimethyl-8,
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    Mol. Formula:
    C21H20O5

    M.W.:
    352.39

    Type:
    ---

    AlogP:
    4.12

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  2. ALA5284184

    Name:
    2-(3-hydroxybenzylidene)-7,7-dimethyl-8,9-dihydro-
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    Mol. Formula:
    C20H18O4

    M.W.:
    322.36

    Type:
    ---

    AlogP:
    4.11

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA5288910

    Name:
    2-benzylidene-7,7-dimethyl-8,9-dihydro-2H-furo[2,3
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    Mol. Formula:
    C20H18O3

    M.W.:
    306.36

    Type:
    ---

    AlogP:
    4.41

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA4790748

    Name:
    [2-oxo-3-(2-phenylethyl)-1,3-benzoxazol-4-yl]-2-me
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    Mol. Formula:
    C22H19NO5S

    M.W.:
    409.46

    Type:
    Unknown

    AlogP:
    3.91

    Polar Surface Area:
    78.51

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA4781766

    Name:
    N-(p-methyl)-benzyl-4-(1H-(1-methyl)-imidazole-4-s
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    Mol. Formula:
    C19H17N3O5S

    M.W.:
    399.43

    Type:
    Unknown

    AlogP:
    2.45

    Polar Surface Area:
    96.33

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA3736069

    Name:
    (R/S)-7-[(3-(1-(Methylamino)ethyl)phenoxy)methyl]q
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    Mol. Formula:
    C19H21N3O

    M.W.:
    307.40

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    60.17

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  7. ALA3736490

    Name:
    7-[((5-((Methylamino)methyl)pyridin-3-yl)oxy)methy
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    Mol. Formula:
    C17H21Cl3N4O

    M.W.:
    403.74

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA3735289

    Name:
    7-[(4-Chloro-3-((methylamino)methyl)phenoxy)methyl
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    Mol. Formula:
    C18H20Cl3N3O

    M.W.:
    400.74

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    60.17

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  9. ALA3735022

    Name:
    7-[(4-Fluoro-3-((methylamino)methyl)phenoxy)methyl
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    Mol. Formula:
    C18H20Cl2FN3O

    M.W.:
    384.28

    Type:
    Small molecule

    AlogP:
    3.25

    Polar Surface Area:
    60.17

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA3735512

    Name:
    7-[((3-((Methylamino)methyl)phenyl)amino)methyl]qu
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    Mol. Formula:
    C18H23Cl3N4

    M.W.:
    401.77

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    62.97

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  11. ALA3735825

    Name:
    7-[((3-((Dimethylamino)methyl)phenyl)amino)methyl]
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    Mol. Formula:
    C19H25Cl3N4

    M.W.:
    415.80

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    54.18

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA3736384

    Name:
    7-[(4-(Methylamino)methyl)phenoxy)methyl]quinolin-
    Show More

    Mol. Formula:
    C18H21Cl2N3O

    M.W.:
    366.29

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    60.17

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  13. ALA3736445

    Name:
    7-[(4-(Dimethylamino)methyl)phenoxy)methyl]quinoli
    Show More

    Mol. Formula:
    C19H23Cl2N3O

    M.W.:
    380.32

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    51.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  14. ALA3736260

    Name:
    7-((3-(2-(Dimethylamino)ethoxy)phenoxy)methyl)quin
    Show More

    Mol. Formula:
    C20H25Cl2N3O2

    M.W.:
    410.35

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    60.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  15. ALA3736055

    Name:
    7-[(3-(3-(Dimethylamino)propyl)phenoxy)methyl]quin
    Show More

    Mol. Formula:
    C21H27Cl2N3O

    M.W.:
    408.37

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    51.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  16. ALA3736101

    Name:
    7-((3-(Dimethylamino)phenoxy)methyl)quinolin-2-ami
    Show More

    Mol. Formula:
    C18H21Cl2N3O

    M.W.:
    366.29

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    51.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  17. ALA3735076

    Name:
    7-[(Pyridin-3-yloxy)methyl]quinolin-2-amine dihydr
    Show More

    Mol. Formula:
    C15H15Cl2N3O

    M.W.:
    324.21

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    61.03

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  18. ALA3736444

    Name:
    7-[(3-Aminomethyl)phenoxy)methyl]quinolin-2-amine
    Show More

    Mol. Formula:
    C17H19Cl2N3O

    M.W.:
    352.27

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    74.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  19. ALA3736143

    Name:
    7-[(3-(Methylamino)methyl)phenoxy)methyl]quinolin-
    Show More

    Mol. Formula:
    C18H21Cl2N3O

    M.W.:
    366.29

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    60.17

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  20. ALA3735617

    Name:
    7-[(3-(Dimethylamino)methyl)phenoxy)methyl]quinoli
    Show More

    Mol. Formula:
    C19H23Cl2N3O

    M.W.:
    380.32

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    51.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
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