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  1. (2E)-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide

    Name:
    N-(2-hydroxyphenyl)cinnamamide

    Mol. Formula:
    C15H13NO2

    M.W.:
    239.27

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA2336352

    Name:
    N-benzylcinnamamide

    Mol. Formula:
    C16H15NO

    M.W.:
    237.30

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  3. ALA2286146

    Name:
    3,7-dimethyloct-6-enyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C22H32O2

    M.W.:
    328.50

    Type:
    Small molecule

    AlogP:
    6.14

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA2286145

    Name:
    phenethyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C20H22O2

    M.W.:
    294.39

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. ALA2286144

    Name:
    4-allyl-2-methoxyphenyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C22H24O3

    M.W.:
    336.43

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA2286143

    Name:
    2-phenoxyethyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C20H22O3

    M.W.:
    310.39

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. ALA2286142

    Name:
    2-isopropyl-5-methylphenyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C22H26O2

    M.W.:
    322.45

    Type:
    Small molecule

    AlogP:
    5.86

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA2286141

    Name:
    2-isopropyl-4-methylphenyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C22H26O2

    M.W.:
    322.45

    Type:
    Small molecule

    AlogP:
    5.86

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA2286140

    Name:
    pentyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C17H24O2

    M.W.:
    260.38

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. ALA2286139

    Name:
    isopropyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA2286138

    Name:
    propyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    Small molecule

    AlogP:
    3.78

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  12. ALA2286137

    Name:
    ethyl 3-(4-isopropylphenyl)acrylate

    Mol. Formula:
    C14H18O2

    M.W.:
    218.30

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  13. Isobutyl cinnamate

    Name:
    isobutyl cinnamate

    Mol. Formula:
    C13H16O2

    M.W.:
    204.27

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA2286135

    Name:
    2-isopropyl-5-methylphenyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C19H18Cl2O2

    M.W.:
    349.26

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA2286134

    Name:
    2-isopropyl-4-methylphenyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C19H18Cl2O2

    M.W.:
    349.26

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA2285950

    Name:
    pentyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C14H16Cl2O2

    M.W.:
    287.19

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  17. ALA2285949

    Name:
    isopropyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C12H12Cl2O2

    M.W.:
    259.13

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  18. ALA2285948

    Name:
    propyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C12H12Cl2O2

    M.W.:
    259.13

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA2285947

    Name:
    ethyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C11H10Cl2O2

    M.W.:
    245.10

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  20. ALA2285946

    Name:
    methyl 3-(2,4-dichlorophenyl)acrylate

    Mol. Formula:
    C10H8Cl2O2

    M.W.:
    231.08

    Type:
    Small molecule

    AlogP:
    3.18

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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