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  1. ALA2074894

    Name:
    Muricholate

    Mol. Formula:
    C24H40O5

    M.W.:
    408.58

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA2074893

    Name:
    Taurolagodeoxycholate

    Mol. Formula:
    C26H45NO6S

    M.W.:
    499.71

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    123.93

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA2074892

    Name:
    Tauromurocholate

    Mol. Formula:
    C26H45NO6S

    M.W.:
    499.71

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    123.93

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  4. ALA2074891

    Name:
    reverse Triiodothyronine(rT3) sulfate

    Mol. Formula:
    C15H14I3NO8S

    M.W.:
    749.06

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    92.78

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA2074890

    Name:
    Diiodothyronine sulfate

    Mol. Formula:
    C15H13I2NO7S

    M.W.:
    605.14

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    136.15

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA2074581

    Name:
    Thyroxine sulfate

    Mol. Formula:
    C15H11I4NO7S

    M.W.:
    856.94

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    136.15

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA2074889

    Name:
    Triiodothyronine sulfate

    Mol. Formula:
    C15H12I3NO7S

    M.W.:
    731.04

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    136.15

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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