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  1. ALA3775281

    Name:
    6-Chloro-N-(2-mercaptophenyl)nicotinamide

    Mol. Formula:
    C12H9ClN2OS

    M.W.:
    264.74

    Type:
    Small molecule

    AlogP:
    3.28

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  2. ALA3775808

    Name:
    4-Chloro-N-(2-mercaptophenyl)benzamide

    Mol. Formula:
    C13H10ClNOS

    M.W.:
    263.75

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    29.10

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  3. ALA3775936

    Name:
    S-2-Benzamidophenyl 2-methylpropanethioate

    Mol. Formula:
    C17H17NO2S

    M.W.:
    299.40

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  4. ALA3774514

    Name:
    N-(2-mercaptophenyl)benzamide

    Mol. Formula:
    C13H11NOS

    M.W.:
    229.30

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    29.10

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  5. ALA3775136

    Name:
    N-(2-Mercaptophenyl)octanamide

    Mol. Formula:
    C14H21NOS

    M.W.:
    251.40

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    29.10

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  6. ALA3775883

    Name:
    2-Isobutyramidophenyl isobutyrate

    Mol. Formula:
    C14H19NO3

    M.W.:
    249.31

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA3774671

    Name:
    N-(2-Hydroxyphenyl)isobutyramide

    Mol. Formula:
    C10H13NO2

    M.W.:
    179.22

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.68

    DETAILS
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