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  1. ALA1160242

    Name:
    Phosphoric acid (S)-2-amino-3-(1H-imidazol-4-yl)-propyl ester (2R,3S,4R,5R)Show More

    Mol. Formula:
    C16H23N8O7P

    M.W.:
    470.38

    Type:
    Small molecule

    AlogP:
    -1.55

    Polar Surface Area:
    229.77

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA412891

    Name:
    [(S)-2-Amino-3-(1H-imidazol-4-yl)-propionyl]-sulfamic acid (2R,3S,4R,5R)-5-Show More

    Mol. Formula:
    C16H21N9O7S

    M.W.:
    483.47

    Type:
    Small molecule

    AlogP:
    -3.30

    Polar Surface Area:
    246.48

    HBA:
    14

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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