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  1. Chrysosplenetin

    Name:
    5-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one

    Mol. Formula:
    C19H18O8

    M.W.:
    374.35

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    107.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA34536

    Name:
    4-demethylcalycopterone

    Mol. Formula:
    C34H32O10

    M.W.:
    600.62

    Type:
    Small molecule

    AlogP:
    5.06

    Polar Surface Area:
    122.14

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA284830

    Name:
    isocalycopterone

    Mol. Formula:
    C36H36O10

    M.W.:
    628.67

    Type:
    Small molecule

    AlogP:
    6.02

    Polar Surface Area:
    100.14

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA34316

    Name:
    calycopterone

    Mol. Formula:
    C35H34O10

    M.W.:
    614.65

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    111.14

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
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