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  1. ALA4228576

    Name:
    N-(1-cyanocyclopropyl)-8-hydroxy-5-nitroquinoline-
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    Mol. Formula:
    C14H10N4O4

    M.W.:
    298.26

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    129.15

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  2. ALA3397280

    Name:
    (E)-8-(4-(dimethylamino)benzylidene)-4-(4-(dimethy
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    Mol. Formula:
    C25H30N4S

    M.W.:
    418.61

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    30.54

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA3397279

    Name:
    (E)-8-(4-(dimethylamino)benzylidene)-4-(4-(dimethy
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    Mol. Formula:
    C25H30N4O

    M.W.:
    402.54

    Type:
    Small molecule

    AlogP:
    4.69

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  4. ALA1836532

    Name:
    (R)-2-(2-(4,6-dichloro-1,3,5-triazin-2-ylamino)ben
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    Mol. Formula:
    C13H11Cl2N5O3

    M.W.:
    356.17

    Type:
    Small molecule

    AlogP:
    2.12

    Polar Surface Area:
    117.10

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA1836526

    Name:
    methyl 2-(4,6-dichloro-1,3,5-triazin-2-ylamino)ben
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    Mol. Formula:
    C11H8Cl2N4O2

    M.W.:
    299.12

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    77.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  6. ALA1836520

    Name:
    2-(4,6-dimethoxy-1,3,5-triazin-2-ylthio)benzoic ac
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    Mol. Formula:
    C12H11N3O4S

    M.W.:
    293.30

    Type:
    Small molecule

    AlogP:
    1.74

    Polar Surface Area:
    94.43

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  7. ALA1836513

    Name:
    4-(Benzylthio)-6-(butylthio)-1,3,5-triazin-2(1H)-o
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    Mol. Formula:
    C14H17N3OS2

    M.W.:
    307.44

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    58.64

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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