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  1. ALA2289349

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(trifluoromethyl)benzoic acid

    Mol. Formula:
    C14H11F3N2O5

    M.W.:
    344.25

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  2. ALA2289347

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-ethylbenzoic acid

    Mol. Formula:
    C15H16N2O5

    M.W.:
    304.30

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  3. ALA2289346

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-methylbenzoic acid

    Mol. Formula:
    C14H14N2O5

    M.W.:
    290.28

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  4. ALA2289345

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-iodobenzoic acid

    Mol. Formula:
    C13H11IN2O5

    M.W.:
    402.14

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  5. ALA2289344

    Name:
    2-bromo-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid

    Mol. Formula:
    C13H11BrN2O5

    M.W.:
    355.14

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  6. ALA2289343

    Name:
    2-chloro-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid

    Mol. Formula:
    C13H11ClN2O5

    M.W.:
    310.69

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  7. ALA2289342

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-fluorobenzoic acid

    Mol. Formula:
    C13H11FN2O5

    M.W.:
    294.24

    Type:
    Small molecule

    AlogP:
    2.12

    Polar Surface Area:
    90.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  8. ALA2289326

    Name:
    2-(4,6-dimethoxypyrimidin-2-ylthio)-6-(methylthio)benzoic acid

    Mol. Formula:
    C14H14N2O4S2

    M.W.:
    338.41

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    81.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  9. ALA2289315

    Name:
    2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)methyl)benzoic acid

    Mol. Formula:
    C14H13ClN2O4

    M.W.:
    308.72

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    81.54

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA2289314

    Name:
    2-chloro-6-(4,6-dimethoxypyrimidin-2-ylsulfinyl)benzoic acid

    Mol. Formula:
    C13H11ClN2O5S

    M.W.:
    342.76

    Type:
    Small molecule

    AlogP:
    2.01

    Polar Surface Area:
    104.60

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA2289313

    Name:
    2-chloro-6-(4,6-dimethoxypyrimidin-2-ylamino)benzoic acid

    Mol. Formula:
    C13H12ClN3O4

    M.W.:
    309.71

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    93.57

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  12. ALA2289310

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-nitrobenzoic acid

    Mol. Formula:
    C13H11N3O7

    M.W.:
    321.25

    Type:
    Small molecule

    AlogP:
    1.89

    Polar Surface Area:
    133.91

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  13. ALA2289307

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(methylthio)benzoic acid

    Mol. Formula:
    C14H14N2O5S

    M.W.:
    322.34

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    90.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  14. ALA2289305

    Name:
    2-(difluoromethoxy)-6-(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid

    Mol. Formula:
    C14H12F2N2O6

    M.W.:
    342.25

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    100.00

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  15. ALA2289301

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-ethoxybenzoic acid

    Mol. Formula:
    C15H16N2O6

    M.W.:
    320.30

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    100.00

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  16. ALA2289300

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-methoxybenzoic acid

    Mol. Formula:
    C14H14N2O6

    M.W.:
    306.27

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    100.00

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  17. ALA2289062

    Name:
    2-(4,6-dimethoxypyrimidin-2-yloxy)-6-(methoxycarbonyl)benzoic acid

    Mol. Formula:
    C15H14N2O7

    M.W.:
    334.28

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    117.07

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  18. ALA2230131

    Name:
    3-(p-tolyldisulfanyl)-1H-1,2,4-triazole

    Mol. Formula:
    C9H9N3S2

    M.W.:
    223.33

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    41.57

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA2230130

    Name:
    3-(phenyldisulfanyl)-1H-1,2,4-triazole

    Mol. Formula:
    C8H7N3S2

    M.W.:
    209.30

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    41.57

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  20. ALA2229985

    Name:
    5-methyl-3-((2-nitrophenyl)disulfanyl)-1H-1,2,4-triazole

    Mol. Formula:
    C9H8N4O2S2

    M.W.:
    268.32

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    84.71

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
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