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  1. ALA2397759

    Name:
    5-O-Methyllatifolin

    Mol. Formula:
    C18H20O4

    M.W.:
    300.35

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    47.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  2. ALA2270444

    Name:
    deacetylsalannin

    Cas Number:
    1110-56-1

    Mol. Formula:
    C32H42O8

    M.W.:
    554.68

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    104.43

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  3. ALA2270443

    Name:
    Nimbandiol

    Mol. Formula:
    C25H30O7

    M.W.:
    442.51

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    106.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  4. ALA2229595

    Name:
    2'-O-Methyllatifolin

    Mol. Formula:
    C18H20O4

    M.W.:
    300.35

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    47.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  5. ALA2229592

    Name:
    Latifolin Dimethyl Ether

    Mol. Formula:
    C19H22O4

    M.W.:
    314.38

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    36.92

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. ALA2229591

    Name:
    Latifolin Diacetate

    Mol. Formula:
    C21H22O6

    M.W.:
    370.40

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    71.06

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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