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  1. ALA455857

    Name:
    (+/-)-Gelliusine F

    Mol. Formula:
    C20H20Br2N4

    M.W.:
    476.22

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    83.62

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  2. ALA517453

    Name:
    (+/-)-Gelliusine E

    Mol. Formula:
    C20H21BrN4O

    M.W.:
    413.32

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    103.85

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA519922

    Name:
    (+/-)-gelliusine A

    Cas Number:
    159903-67-0

    Mol. Formula:
    C30H30Br2N6O

    M.W.:
    650.42

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    145.66

    HBA:
    4

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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