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  1. ALA4286047

    Name:
    (S)-2-(4-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl
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    Mol. Formula:
    C17H21N3O5

    M.W.:
    347.37

    Type:
    Small molecule

    AlogP:
    0.70

    Polar Surface Area:
    121.26

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. ALA3233400

    Name:
    (1R,4R,5R)-1,4,5-Trihydroxy-3-[(1R)-1-chloro-2-phe
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    Mol. Formula:
    C15H17ClO5

    M.W.:
    312.75

    Type:
    Small molecule

    AlogP:
    0.70

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA3233399

    Name:
    (1R,4R,5R)-1,4,5-Trihydroxy-3-[(1S)-1-chloro-2-phe
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    Mol. Formula:
    C15H17ClO5

    M.W.:
    312.75

    Type:
    Small molecule

    AlogP:
    0.70

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. ALA3233398

    Name:
    (1R,4R,5R)-1,4,5-Trihydroxy-3-[(1R)-1-hydroxy-2-ph
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    Mol. Formula:
    C15H18O6

    M.W.:
    294.30

    Type:
    Small molecule

    AlogP:
    -0.54

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA3233016

    Name:
    (1R,4R,5R)-1,4,5-Trihydroxy-3-[(1S)-1-hydroxy-2-ph
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    Mol. Formula:
    C15H18O6

    M.W.:
    294.30

    Type:
    Small molecule

    AlogP:
    -0.54

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA3233397

    Name:
    (1R,4R,5R)-1,4,5-Trihydroxy-3-(2-hydroxy)ethylcycl
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    Mol. Formula:
    C9H14O6

    M.W.:
    218.21

    Type:
    Small molecule

    AlogP:
    -1.76

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA3233396

    Name:
    (1R,4R,5R)-1,4,5-Trihydroxy-3-hydroxymethylcyclohe
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    Mol. Formula:
    C8H12O6

    M.W.:
    204.18

    Type:
    Small molecule

    AlogP:
    -2.15

    Polar Surface Area:
    118.22

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA567564

    Name:
    Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(5-methylbenzo
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    Mol. Formula:
    C17H17NaO6S

    M.W.:
    372.37

    Type:
    Small molecule

    AlogP:
    1.55

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA567563

    Name:
    Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(benzo[b]thiop
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    Mol. Formula:
    C16H15NaO6S

    M.W.:
    358.35

    Type:
    Small molecule

    AlogP:
    1.24

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  10. ALA576247

    Name:
    Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-[(benzo[b]tiop
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    Mol. Formula:
    C16H15NaO6S

    M.W.:
    358.35

    Type:
    Small molecule

    AlogP:
    1.24

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA567136

    Name:
    Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(thien-3-yl)metho
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    Mol. Formula:
    C12H13NaO6S

    M.W.:
    308.29

    Type:
    Small molecule

    AlogP:
    0.09

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA202311

    Name:
    N-tetrazol-5-yl-9-oxo-9H-xanthene-2-sulfonamide

    Mol. Formula:
    C14H9N5O4S

    M.W.:
    343.32

    Type:
    Small molecule

    AlogP:
    0.68

    Polar Surface Area:
    134.07

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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