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  1. (2S)-(+)-Amino-6-iodoacetamidohexanoic acid

    Name:
    (S)-2-amino-6-(2-iodoacetamido)hexanoic acid

    Mol. Formula:
    C8H15IN2O3

    M.W.:
    314.12

    Type:
    Small molecule

    AlogP:
    0.12

    Polar Surface Area:
    92.42

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. (2S)-(+)-Amino-5-iodoacetamidopentanoic acid

    Name:
    (S)-2-amino-5-(2-iodoacetamido)pentanoic acid

    Mol. Formula:
    C7H13IN2O3

    M.W.:
    300.10

    Type:
    Small molecule

    AlogP:
    -0.27

    Polar Surface Area:
    92.42

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA2261743

    Name:
    monofluoro-methyl-ornithine

    Mol. Formula:
    C6H13FN2O2

    M.W.:
    164.18

    Type:
    Small molecule

    AlogP:
    -0.52

    Polar Surface Area:
    89.34

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  4. ALA2261742

    Name:
    alpha-hydrazine ornithine

    Mol. Formula:
    C5H13N3O2

    M.W.:
    147.18

    Type:
    Small molecule

    AlogP:
    -1.36

    Polar Surface Area:
    101.37

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA375582

    Name:
    5,6,2',6'-tetramethoxyflavone

    Mol. Formula:
    C19H18O6

    M.W.:
    342.35

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    67.13

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  6. ALA374183

    Name:
    saliniketal B

    Mol. Formula:
    C22H37NO6

    M.W.:
    411.54

    Type:
    Small molecule

    AlogP:
    1.51

    Polar Surface Area:
    122.24

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA386816

    Name:
    saliniketal A

    Mol. Formula:
    C22H37NO5

    M.W.:
    395.54

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    102.01

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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