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  1. ALA2041752

    Name:
    N-(3-(5-m-tolyl-1,3,4-oxadiazol-2-yl)phenyl)furan-2-carboxamide

    Mol. Formula:
    C20H15N3O3

    M.W.:
    345.36

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    81.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA2041751

    Name:
    3-(4-(dimethylamino)phenyl)-1-(furan-2-yl)prop-2-en-1-one

    Mol. Formula:
    C15H15NO2

    M.W.:
    241.29

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    33.45

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA2041532

    Name:
    2-(2-(4-bromobenzylidene)hydrazinyl)-4,6-diphenylpyrimidine

    Mol. Formula:
    C23H17BrN4

    M.W.:
    429.32

    Type:
    Small molecule

    AlogP:
    6.02

    Polar Surface Area:
    50.17

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA2041531

    Name:
    2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,6-diphenylpyrimidine

    Mol. Formula:
    C21H18N4

    M.W.:
    326.40

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA230346

    Name:
    2-allyl-4-(4-(3-allyl-4-hydroxyphenyl)hex-3-en-3-yl)phenol

    Mol. Formula:
    C24H28O2

    M.W.:
    348.49

    Type:
    Small molecule

    AlogP:
    6.29

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA230345

    Name:
    2-allyl-4-((3-allyl-4-hydroxyphenyl)(pyridin-2-yl)methyl)phenol

    Mol. Formula:
    C24H23NO2

    M.W.:
    357.45

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    53.35

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. ALA230242

    Name:
    2-allyl-4-(1-(3-allyl-4-hydroxyphenyl)-2,2-dichlorovinyl)phenol

    Mol. Formula:
    C20H18Cl2O2

    M.W.:
    361.27

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA230241

    Name:
    2-allyl-4-(1-(3-allyl-4-hydroxyphenyl)cyclohexyl)phenol

    Mol. Formula:
    C24H28O2

    M.W.:
    348.49

    Type:
    Small molecule

    AlogP:
    5.81

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. 2,2′-Diallylbisphenol A

    Name:
    2-allyl-4-[1-(3-allyl-4-hydroxyphenyl)-1-methylethyl]phenol

    Mol. Formula:
    C21H24O2

    M.W.:
    308.42

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  10. ALA231491

    Name:
    2-allyl-4-(3-allyl-4-hydroxybenzyl)phenol

    Mol. Formula:
    C19H20O2

    M.W.:
    280.37

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  11. 2,2-diallyl-4,4-biphenol

    Name:
    3,3'-diallyl-biphenyl-4,4'-diol

    Mol. Formula:
    C18H18O2

    M.W.:
    266.34

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  12. ALA230556

    Name:
    2-(3-allyl-4-hydroxy-phenyl)-pyrimidin-5-ol

    Mol. Formula:
    C13H12N2O2

    M.W.:
    228.25

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    66.24

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  13. ALA389317

    Name:
    3,3'-diallyl-biphenyl-2,4'-diol

    Mol. Formula:
    C18H18O2

    M.W.:
    266.34

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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