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  1. ALA598853

    Name:
    2-hexylthio-ATP-alpha-S

    Mol. Formula:
    C16H28N5O12P3S2

    M.W.:
    639.48

    Type:
    Small molecule

    AlogP:
    1.16

    Polar Surface Area:
    262.06

    HBA:
    15

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA239567

    Name:
    3-(2-[18F]fluoroethyl)tyrosine

    Mol. Formula:
    C11H14FNO3

    M.W.:
    226.24

    Type:
    Small molecule

    AlogP:
    0.86

    Polar Surface Area:
    83.55

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
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