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  1. 3-Methyl-4-(1H-pyrrol-1-yl)benzoic acid

    Name:
    3-methyl-4-(1H-pyrrol-1-yl)benzoic acid

    Mol. Formula:
    C12H11NO2

    M.W.:
    201.22

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    42.23

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
  2. 4′-Chloro-3′-fluoro[1,1′-biphenyl]-4-carboxylic acid

    Name:
    4'-chloro-3'-fluoro-[1,1'-biphenyl]-4-carboxylic acid

    Mol. Formula:
    C13H8ClFO2

    M.W.:
    250.66

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    37.30

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  3. 4-(Thiophen-3-yl)benzoic acid

    Name:
    4-(thiophen-3-yl)benzoic acid

    Mol. Formula:
    C11H8O2S

    M.W.:
    204.25

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
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