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  1. ALA5286019

    Name:
    2,4-Iutidine

    Mol. Formula:
    C7H9N

    M.W.:
    107.16

    Type:
    ---

    AlogP:
    1.70

    Polar Surface Area:
    12.89

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  2. 5-Amino-2,4-dimethylpyridine

    Name:
    5-amino-2,4-dimethylpyridinium

    Mol. Formula:
    C7H10N2

    M.W.:
    122.17

    Type:
    Unknown

    AlogP:
    1.28

    Polar Surface Area:
    38.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.56

    DETAILS
  3. NSC232003

    Name:
    5-(1-(hydroxyamino)ethylidene)pyrimidine-2,4(3H,5H)-dione

    Mol. Formula:
    C6H7N3O3

    M.W.:
    169.14

    Type:
    Small molecule

    AlogP:
    -0.44

    Polar Surface Area:
    90.79

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. 5-(Dimethylamino)pyrimidine-2,4(1H,3H)-dione

    Name:
    5-(dimethylamino)pyrimidine-2,4(1H,3H)-dione

    Mol. Formula:
    C6H9N3O2

    M.W.:
    155.16

    Type:
    Small molecule

    AlogP:
    -0.87

    Polar Surface Area:
    68.96

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA3781769

    Name:
    5,7-diazaspiro[2.5]octane-4,6,8-trione

    Mol. Formula:
    C6H6N2O3

    M.W.:
    154.12

    Type:
    Small molecule

    AlogP:
    -0.87

    Polar Surface Area:
    75.27

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  6. 5-Acetyluracil

    Name:
    5-acetylpyrimidine-2,4(1H,3H)-dione

    Mol. Formula:
    C6H6N2O3

    M.W.:
    154.12

    Type:
    Small molecule

    AlogP:
    -0.73

    Polar Surface Area:
    82.79

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. 4-Amino-2-hydroxy-pyrimidine-5-carboxylic acid ethyl ester

    Name:
    ethyl 6-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylate

    Mol. Formula:
    C7H9N3O3

    M.W.:
    183.17

    Type:
    Small molecule

    AlogP:
    -0.47

    Polar Surface Area:
    98.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  8. ALA2008844

    Name:
    4-(2-(3-(1H-indol-3-yl)pyrrolidin-1-yl)ethyl)morpholine

    Mol. Formula:
    C18H25N3O

    M.W.:
    299.42

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    31.50

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
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