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  1. ALA1800999

    Name:
    (1E,6E)-4-(2,3-Dimethoxybenzylidene)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptShow More

    Mol. Formula:
    C30H28O8

    M.W.:
    516.55

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    111.52

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. NF-κB-IN-1

    Name:
    (1E,6E)-1,7-Bis(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxybenzylidene)heptShow More

    Mol. Formula:
    C31H30O8

    M.W.:
    530.57

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    100.52

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
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