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  1. ALA463961

    Name:
    crambine C1

    Mol. Formula:
    C25H49ClN6O3

    M.W.:
    517.16

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    158.84

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA465409

    Name:
    crambine B

    Mol. Formula:
    C25H49ClN6O3

    M.W.:
    517.16

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    147.84

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  3. ALA465408

    Name:
    crambine A

    Mol. Formula:
    C24H45ClN6O2

    M.W.:
    485.12

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    129.82

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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