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  1. ALA2269050

    Name:
    N-(4-Phenoxyphenyl)-2-pyridinecarboxamide

    Mol. Formula:
    C18H14N2O2

    M.W.:
    290.32

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  2. ALA2269049

    Name:
    N-(4-phenoxyphenyl)nicotinamide

    Mol. Formula:
    C18H14N2O2

    M.W.:
    290.32

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  3. ALA2269048

    Name:
    N-(4-(4-acetamidophenoxy)phenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C19H16N4O3

    M.W.:
    348.36

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    93.21

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  4. ALA2269047

    Name:
    N-(4-(4-acetamidophenoxy)phenyl)isonicotinamide

    Mol. Formula:
    C20H17N3O3

    M.W.:
    347.37

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    80.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA2269046

    Name:
    N-(4-(4-acetamidophenoxy)phenyl)nicotinamide

    Mol. Formula:
    C20H17N3O3

    M.W.:
    347.37

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    80.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA2269045

    Name:
    N-(4-(4-acetamidophenoxy)phenyl)picolinamide

    Mol. Formula:
    C20H17N3O3

    M.W.:
    347.37

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    80.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  7. ALA2269044

    Name:
    N-(4-phenoxyphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C17H13N3O2

    M.W.:
    291.31

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    64.11

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. ALA2269043

    Name:
    N-(4-phenoxyphenyl)isonicotinamide

    Mol. Formula:
    C18H14N2O2

    M.W.:
    290.32

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA2269042

    Name:
    allyl 4-(4-(pyrazine-2-carboxamido)phenoxy)phenylcarbamate

    Mol. Formula:
    C21H18N4O4

    M.W.:
    390.40

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    102.44

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  10. ALA2269041

    Name:
    allyl 4-(4-(isonicotinamido)phenoxy)phenylcarbamate

    Mol. Formula:
    C22H19N3O4

    M.W.:
    389.41

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    89.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA2269040

    Name:
    allyl 4-(4-(nicotinamido)phenoxy)phenylcarbamate

    Mol. Formula:
    C22H19N3O4

    M.W.:
    389.41

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    89.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  12. ALA2269039

    Name:
    allyl 4-(4-(picolinamido)phenoxy)phenylcarbamate

    Mol. Formula:
    C22H19N3O4

    M.W.:
    389.41

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    89.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA2269038

    Name:
    Allyl N-[4-(4-Aminophenoxy)phenyl]carbamate

    Mol. Formula:
    C16H16N2O3

    M.W.:
    284.32

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    73.58

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  14. ALA2230041

    Name:
    (E,E)-8,10-dodecadienyl trifluoromethyl ketone

    Mol. Formula:
    C13H19F3O

    M.W.:
    248.29

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. Allyl stearate

    Name:
    Allyl octadecanoate

    Mol. Formula:
    C21H40O2

    M.W.:
    324.55

    Type:
    Small molecule

    AlogP:
    6.98

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  16. ALA2229589

    Name:
    Allyl tetradecanoate

    Mol. Formula:
    C17H32O2

    M.W.:
    268.44

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  17. ALA2229588

    Name:
    Allyl dodecanoate

    Mol. Formula:
    C15H28O2

    M.W.:
    240.39

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  18. ALA2229587

    Name:
    Allyl decanoate

    Mol. Formula:
    C13H24O2

    M.W.:
    212.33

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA2229586

    Name:
    Allyl octanoate

    Mol. Formula:
    C11H20O2

    M.W.:
    184.28

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  20. ALA2229585

    Name:
    Allyl hexanoate

    Mol. Formula:
    C9H16O2

    M.W.:
    156.22

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
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