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  1. (cis-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

    Name:
    ((2R,4R)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4Show More

    Mol. Formula:
    C21H20Cl2N2O5S

    M.W.:
    483.37

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    79.65

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA202526

    Name:
    1-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxShow More

    Mol. Formula:
    C25H27Cl2N3O3

    M.W.:
    488.42

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    48.75

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA370867

    Name:
    4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolaShow More

    Mol. Formula:
    C20H19Cl2N3O3

    M.W.:
    420.30

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    71.53

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  4. ALA201952

    Name:
    1-(((2R,4S)-4-((4-bromophenoxy)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-Show More

    Mol. Formula:
    C20H17BrCl2N2O3

    M.W.:
    484.18

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    45.51

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA201837

    Name:
    1-acetyl-4-(methoxyphenyl)piperazine

    Mol. Formula:
    C13H18N2O2

    M.W.:
    234.30

    Type:
    Small molecule

    AlogP:
    1.36

    Polar Surface Area:
    32.78

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  6. ALA202182

    Name:
    4-(piperidin-1-yl)phenol

    Mol. Formula:
    C11H15NO

    M.W.:
    177.25

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.71

    DETAILS
  7. 4-Benzylideneaminophenol

    Name:
    4-(benzylideneamino)phenol

    Mol. Formula:
    C13H11NO

    M.W.:
    197.24

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  8. ALA370872

    Name:
    1-(4-(4-((2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl)methoxy)phenyl)Show More

    Mol. Formula:
    C23H26Cl2N2O4

    M.W.:
    465.38

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    51.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA201806

    Name:
    1-(4-(4-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethaShow More

    Mol. Formula:
    C18H26N2O4

    M.W.:
    334.42

    Type:
    Small molecule

    AlogP:
    1.89

    Polar Surface Area:
    51.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  10. ALA202608

    Name:
    acetyl-4-(4-hydroxyphenyl)piperazine

    Mol. Formula:
    C12H16N2O2

    M.W.:
    220.27

    Type:
    Small molecule

    AlogP:
    1.06

    Polar Surface Area:
    43.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  11. ALA382946

    Name:
    ((2R,4R)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4Show More

    Mol. Formula:
    C21H18Cl2N2O4

    M.W.:
    433.29

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    62.58

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. Deacetyl Ketoconazole

    Name:
    1-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxShow More

    Mol. Formula:
    C24H26Cl2N4O3

    M.W.:
    489.40

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    60.78

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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