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Items 1-20 of 177

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  1. ALA222735

    Name:
    5-chloropyridin-3-yl-3-methoxybenzoate

    Mol. Formula:
    C13H10ClNO3

    M.W.:
    263.68

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    48.42

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  2. ALA222628

    Name:
    5-chloropyridin-3-yl-thiazole-4-carboxylate

    Mol. Formula:
    C9H5ClN2O2S

    M.W.:
    240.67

    Type:
    Small molecule

    AlogP:
    2.41

    Polar Surface Area:
    52.08

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA222893

    Name:
    5-chloropyridin-3-yl-benzo-(b)-thiophene-2-carboxy
    Show More

    Mol. Formula:
    C14H8ClNO2S

    M.W.:
    289.74

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    39.19

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA225515

    Name:
    5-chloro-pyridin-3-yl-1H-indole-2-carboxylate

    Mol. Formula:
    C14H9ClN2O2

    M.W.:
    272.69

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    54.98

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA225511

    Name:
    2-(5-bromopyridin-3-yl)-1-(furan-2-yl)ethanone

    Mol. Formula:
    C11H8BrNO2

    M.W.:
    266.09

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    43.10

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  6. ALA376824

    Name:
    2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone

    Mol. Formula:
    C11H9NOS

    M.W.:
    203.27

    Type:
    Small molecule

    AlogP:
    2.57

    Polar Surface Area:
    29.96

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  7. ALA225510

    Name:
    N-(pyridin-3-yl)thiophene-2-sulfonamide

    Mol. Formula:
    C9H8N2O2S2

    M.W.:
    240.31

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    59.06

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  8. ALA221418

    Name:
    pyridin-3-ylmethyl thiophene-2-carboxylate

    Mol. Formula:
    C11H9NO2S

    M.W.:
    219.26

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    39.19

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. ALA376898

    Name:
    furan-2-yl nicotinate

    Mol. Formula:
    C10H7NO3

    M.W.:
    189.17

    Type:
    Small molecule

    AlogP:
    1.89

    Polar Surface Area:
    52.33

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA221369

    Name:
    3-chloro-5-furan-(2-ylmethoxy)pyridine

    Mol. Formula:
    C10H8ClNO2

    M.W.:
    209.63

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    35.26

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  11. ALA221368

    Name:
    3-chlorophenyl furan-2-carboxylate

    Mol. Formula:
    C11H7ClO3

    M.W.:
    222.63

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    39.44

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA375452

    Name:
    (5-bromo-pyridin-3-yl)methyl furan-2-carboxylate

    Mol. Formula:
    C11H8BrNO3

    M.W.:
    282.09

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    52.33

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  13. ALA222234

    Name:
    5-bromo-pyridin-3-yl furan-2-carboxylate

    Mol. Formula:
    C10H6BrNO3

    M.W.:
    268.07

    Type:
    Small molecule

    AlogP:
    2.66

    Polar Surface Area:
    52.33

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  14. ALA375451

    Name:
    5-chloropyridin-3-yl benzoate

    Mol. Formula:
    C12H8ClNO2

    M.W.:
    233.65

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    39.19

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  15. ALA376023

    Name:
    5-chloropyridin-3-yl furan-3-carboxylate

    Mol. Formula:
    C10H6ClNO3

    M.W.:
    223.62

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    52.33

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  16. ALA426898

    Name:
    5-chloropyridin-3-yl benzofuran-2-carboxylate

    Mol. Formula:
    C14H8ClNO3

    M.W.:
    273.68

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    52.33

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA222840

    Name:
    5-chloro-pyridin-3-yl furan-2-carboxylate

    Cas Number:
    353257-73-5

    Mol. Formula:
    C10H6ClNO3

    M.W.:
    223.62

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    52.33

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  18. ALA373971

    Name:
    5-chloropyridin-3-yl 1H-Pyrrole-2-carboxylate

    Mol. Formula:
    C10H7ClN2O2

    M.W.:
    222.63

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    54.98

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  19. ALA387355

    Name:
    6-methyl-2-nitropyridin-3-yl thiophene-2-carboxyla
    Show More

    Mol. Formula:
    C11H8N2O4S

    M.W.:
    264.26

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    82.33

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA225350

    Name:
    2-methylpyridin-3-yl thiophene-2-carboxylate

    Mol. Formula:
    C11H9NO2S

    M.W.:
    219.26

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    39.19

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
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