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  1. ALA2288607

    Name:
    5-tert-butyl-N-(3-hydroxyphenyl)-2-pyrazinecarboxamide

    Mol. Formula:
    C15H17N3O2

    M.W.:
    271.32

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    75.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  2. ALA2288606

    Name:
    5-tert-butyl-6-chloro-N-(3-chloro-5-hydroxyphenyl)-2-pyrazinecarboxamide

    Mol. Formula:
    C15H15Cl2N3O2

    M.W.:
    340.21

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    75.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  3. ALA2288605

    Name:
    2-octylthio-4-pyridinecarbothioamide

    Mol. Formula:
    C14H22N2S2

    M.W.:
    282.48

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    38.91

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA448573

    Name:
    5-tert-Butyl-6-chloro-N-p-tolylpyrazine-2-carboxamide

    Mol. Formula:
    C16H18ClN3O

    M.W.:
    303.79

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  5. ALA496157

    Name:
    5-tert-Butyl-6-chloro-N-(3-trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C16H15ClF3N3O

    M.W.:
    357.76

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  6. ALA523239

    Name:
    5-tert-Butyl-6-chloro-N-(2-trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C16H15ClF3N3O

    M.W.:
    357.76

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  7. ALA495542

    Name:
    5-tert-Butyl-6-chloro-N-(4-fluorophenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C15H15ClFN3O

    M.W.:
    307.76

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  8. ALA523893

    Name:
    5-tert-Butyl-6-chloro-N-(2-chloro-5-hydroxyphenyl)-pyrazine-2-carboxamide

    Mol. Formula:
    C15H15Cl2N3O2

    M.W.:
    340.21

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    75.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  9. ALA498409

    Name:
    5-tert-Butyl-N-p-tolylpyrazine-2-carboxamide

    Mol. Formula:
    C16H19N3O

    M.W.:
    269.35

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA526290

    Name:
    5-tert-Butyl-N-(3-trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C16H16F3N3O

    M.W.:
    323.32

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  11. ALA498408

    Name:
    5-tert-Butyl-N-(2-trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C16H16F3N3O

    M.W.:
    323.32

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  12. ALA496552

    Name:
    5-tert-Butyl-N-(4-fluorophenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C15H16FN3O

    M.W.:
    273.31

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  13. ALA496551

    Name:
    5-tert-Butyl-N-(2-chlor-5-hydroxyphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C15H16ClN3O2

    M.W.:
    305.77

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    75.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  14. ALA496349

    Name:
    6-Chloro-N-p-tolylpyrazine-2-carboxamide

    Mol. Formula:
    C12H10ClN3O

    M.W.:
    247.69

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.89

    DETAILS
  15. ALA496348

    Name:
    6-Chloro-N-(3-trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C12H7ClF3N3O

    M.W.:
    301.66

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  16. ALA523740

    Name:
    6-Chloro-N-(2-trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C12H7ClF3N3O

    M.W.:
    301.66

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  17. ALA496182

    Name:
    6-Chloro-N-(4-fluorophenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C11H7ClFN3O

    M.W.:
    251.65

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.89

    DETAILS
  18. ALA491049

    Name:
    6-Chloro-N-(2-chloro-5-hydroxyphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C11H7Cl2N3O2

    M.W.:
    284.10

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    75.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  19. ALA454549

    Name:
    N-p-tolylpyrazine-2-carboxamide

    Mol. Formula:
    C12H11N3O

    M.W.:
    213.24

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.83

    DETAILS
  20. ALA510601

    Name:
    N-(3-Trifluoromethylphenyl)pyrazine-2-carboxamide

    Mol. Formula:
    C12H8F3N3O

    M.W.:
    267.21

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    54.88

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.91

    DETAILS
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