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  1. ALA4088576

    Name:
    3-(2-(naphthalen-1-yloxy)acetamido)benzoic acid

    Mol. Formula:
    C19H15NO4

    M.W.:
    321.33

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    75.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA3799389

    Name:
    Cyclopropanecarboxylic acid {3-[hydroxyimino]-2'-o
    Show More

    Mol. Formula:
    C20H16N4O3

    M.W.:
    360.37

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    102.82

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  3. ALA3797466

    Name:
    3-Methyl-but-2-enoic acid {3-[hydroxyimino]-2'-oxo
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    Mol. Formula:
    C21H18N4O3

    M.W.:
    374.40

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    102.82

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA3799505

    Name:
    N-{3-[Hydroxyimino]-2'-oxo-1,3,1',2'-tetrahydro-[2
    Show More

    Mol. Formula:
    C22H22N4O3

    M.W.:
    390.44

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    102.82

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  5. ALA1094005

    Name:
    2-(4-methyl-3-nitrophenyl)-4-(pyridin-3-ylmethylen
    Show More

    Mol. Formula:
    C16H11N3O4

    M.W.:
    309.28

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    94.69

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  6. ALA1094004

    Name:
    2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazo
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    Mol. Formula:
    C16H12N2O3

    M.W.:
    280.28

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    60.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA1090983

    Name:
    2-(3,4-dimethoxyphenyl)-4-(pyridin-3-ylmethylene)o
    Show More

    Mol. Formula:
    C17H14N2O4

    M.W.:
    310.31

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    70.01

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA1091426

    Name:
    2-(3-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethyle
    Show More

    Mol. Formula:
    C16H11BrN2O3

    M.W.:
    359.18

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    60.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA1091042

    Name:
    2-(2-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethyle
    Show More

    Mol. Formula:
    C16H11BrN2O3

    M.W.:
    359.18

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    60.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  10. ALA1091041

    Name:
    2-(3-bromophenyl)-4-(pyridin-3-ylmethylene)oxazol-
    Show More

    Mol. Formula:
    C15H9BrN2O2

    M.W.:
    329.15

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA1092140

    Name:
    2-(2,4-dichlorophenyl)-4-(pyridin-3-ylmethylene)ox
    Show More

    Mol. Formula:
    C15H8Cl2N2O2

    M.W.:
    319.15

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA1092139

    Name:
    2-(4-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-
    Show More

    Mol. Formula:
    C15H9N3O4

    M.W.:
    295.25

    Type:
    Small molecule

    AlogP:
    2.33

    Polar Surface Area:
    94.69

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA1091767

    Name:
    4-(pyridin-3-ylmethylene)-2-(3,4,5-trimethoxypheny
    Show More

    Mol. Formula:
    C18H16N2O5

    M.W.:
    340.34

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    79.24

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA1091766

    Name:
    2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylen
    Show More

    Mol. Formula:
    C16H11BrN2O2

    M.W.:
    343.18

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA1091765

    Name:
    2-(3-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol
    Show More

    Mol. Formula:
    C15H9ClN2O2

    M.W.:
    284.70

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA1091764

    Name:
    2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylene)ox
    Show More

    Mol. Formula:
    C15H8F2N2O2

    M.W.:
    286.24

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  17. ALA1091787

    Name:
    2-(4-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol
    Show More

    Mol. Formula:
    C15H9ClN2O2

    M.W.:
    284.70

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  18. ALA1091786

    Name:
    4-(pyridin-3-ylmethylene)-2-m-tolyloxazol-5(4H)-on
    Show More

    Cas Number:
    313970-78-4

    Mol. Formula:
    C16H12N2O2

    M.W.:
    264.28

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  19. ALA1091785

    Name:
    2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylen
    Show More

    Cas Number:
    313971-05-0

    Mol. Formula:
    C15H8ClN3O4

    M.W.:
    329.70

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    94.69

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  20. ALA1091784

    Name:
    2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene
    Show More

    Mol. Formula:
    C15H8ClIN2O2

    M.W.:
    410.60

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    51.55

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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