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  1. ALA4543032

    Name:
    Deflectin B-2a

    Mol. Formula:
    C34H50O5

    M.W.:
    538.77

    Type:
    Unknown

    AlogP:
    8.78

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  2. ALA1817806

    Name:
    (E)-6-Fluoro-4-methoxy-2',3,5'-trihydroxystilbene

    Mol. Formula:
    C15H13FO4

    M.W.:
    276.26

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  3. ALA1817805

    Name:
    (E)-2',4'-Dimethoxy-2-hydroxystilbene

    Mol. Formula:
    C16H16O3

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. ALA1817804

    Name:
    (E)-2,2',5'-Trihydroxystilbene

    Mol. Formula:
    C14H12O3

    M.W.:
    228.25

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA1817803

    Name:
    (E)-2-Hydroxy-3',4',5'-trifluorostilbene

    Mol. Formula:
    C14H9F3O

    M.W.:
    250.22

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA1817802

    Name:
    (E)-3',5'-Dimethoxy-4'-fluoro-2-hydroxystilbene

    Mol. Formula:
    C16H15FO3

    M.W.:
    274.29

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  7. ALA1817801

    Name:
    (E)-2',4'-Dimethoxy-3-hydroxystilbene

    Mol. Formula:
    C16H16O3

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  8. ALA1817800

    Name:
    (E)-2',3,5'-Trihydroxystilbene

    Mol. Formula:
    C14H12O3

    M.W.:
    228.25

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  9. ALA1817799

    Name:
    (E)-2',5'-Dimethoxy-3-hydroxystilbene

    Mol. Formula:
    C16H16O3

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  10. ALA1817798

    Name:
    (E)-4'-Fluoro-3,3',5'-trihydroxystilbene

    Mol. Formula:
    C14H11FO3

    M.W.:
    246.24

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. ALA1817797

    Name:
    (E)-3-Hydroxy-3',4',5'-trifluorostilbene

    Mol. Formula:
    C14H9F3O

    M.W.:
    250.22

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA1817796

    Name:
    (E)-3',5'-Dimethoxy-4'-fluoro-3-hydroxystilbene

    Mol. Formula:
    C16H15FO3

    M.W.:
    274.29

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  13. ALA1817795

    Name:
    (E)-2',4'-Dimethoxy-4-hydroxystilbene

    Mol. Formula:
    C16H16O3

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  14. ALA1817794

    Name:
    (E)-2',4,5'-Trihydroxystilbene

    Mol. Formula:
    C14H12O3

    M.W.:
    228.25

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA1817793

    Name:
    (E)-2',5'-Dimethoxy-4-hydroxystilbene

    Mol. Formula:
    C16H16O3

    M.W.:
    256.30

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  16. ALA1817792

    Name:
    (E)-4'-Fluoro-3',4,5'-trihydroxystilbene

    Mol. Formula:
    C14H11FO3

    M.W.:
    246.24

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA1817791

    Name:
    (E)-4-Hydroxy-3',4',5'-trifluorostilbene

    Mol. Formula:
    C14H9F3O

    M.W.:
    250.22

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  18. ALA1817790

    Name:
    (E)-3',5'-Dimethoxy-4'-fluoro-4-hydroxystilbene

    Mol. Formula:
    C16H15FO3

    M.W.:
    274.29

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
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