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  1. ALA4576108

    Name:
    1-(3-(3-(3-chloro-5-methoxyphenyl)-4-(pyridin-4-yl
    Show More

    Mol. Formula:
    C28H20Cl3N5O2

    M.W.:
    564.86

    Type:
    Unknown

    AlogP:
    8.21

    Polar Surface Area:
    81.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA4103330

    Name:
    4-desmethyl Englerin A

    Mol. Formula:
    C25H32O6

    M.W.:
    428.53

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA4085398

    Name:
    4-ethyl Englerin A

    Mol. Formula:
    C27H36O6

    M.W.:
    456.58

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA4062736

    Name:
    (-)-Englerin A

    Mol. Formula:
    C26H34O6

    M.W.:
    442.55

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  5. ALA4065494

    Name:
    4-isopropyl Englerin A

    Mol. Formula:
    C28H38O6

    M.W.:
    470.61

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  6. ALA4294978

    Name:
    2-Amino-6-bromo-4-(2-(4-chlorophenyl)-2-oxoethyl)-
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    Mol. Formula:
    C19H14BrClN2O3

    M.W.:
    433.69

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    85.34

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA4293468

    Name:
    Methyl 2-amino-6-bromo-4-(2-(4-bromophenyl)-2-oxoe
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    Mol. Formula:
    C19H15Br2NO4

    M.W.:
    481.14

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    78.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. ALA4292415

    Name:
    2-Amino-6-bromo-8-methoxy-4-(2-oxo-2-phenylethyl)-
    Show More

    Mol. Formula:
    C19H15BrN2O3

    M.W.:
    399.24

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    85.34

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA4289734

    Name:
    Methyl 2-amino-6-bromo-4-(2-(4-chlorophenyl)-2-oxo
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    Mol. Formula:
    C20H17BrClNO5

    M.W.:
    466.71

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    87.85

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA4288661

    Name:
    2-Amino-6,8-difluoro-4-(2-oxo-2-phenylethyl)-4H-ch
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    Mol. Formula:
    C18H12F2N2O2

    M.W.:
    326.30

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    76.11

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  11. ALA4288543

    Name:
    3-(5-bromo-2-hydroxyphenyl)-1-(3-methoxyphenyl)pro
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    Mol. Formula:
    C16H13BrO3

    M.W.:
    333.18

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  12. ALA4288267

    Name:
    2-Amino-6-bromo-4-(2-(4-bromophenyl)-2-oxoethyl)-4
    Show More

    Mol. Formula:
    C18H12Br2N2O2

    M.W.:
    448.11

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    76.11

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  13. ALA4287063

    Name:
    2-Amino-6-bromo-8-methoxy-4-(2-(3-methoxyphenyl)-2
    Show More

    Mol. Formula:
    C20H17BrN2O4

    M.W.:
    429.27

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    94.57

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  14. ALA4286616

    Name:
    3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-phenylprop
    Show More

    Mol. Formula:
    C16H13BrO3

    M.W.:
    333.18

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  15. ALA4284851

    Name:
    3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(p-tolyl)p
    Show More

    Mol. Formula:
    C17H15BrO3

    M.W.:
    347.21

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  16. ALA4283805

    Name:
    3-(5-bromo-2-hydroxyphenyl)-1-(p-tolyl)prop-2-en-1
    Show More

    Mol. Formula:
    C16H13BrO2

    M.W.:
    317.18

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA4283259

    Name:
    3-(5-bromo-2-hydroxy-3-methoxyphenyl)-1-(3-methoxy
    Show More

    Mol. Formula:
    C17H15BrO4

    M.W.:
    363.21

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA4281455

    Name:
    2-Amino-6-bromo-4-(2-(3-methoxyphenyl)-2-oxoethyl)
    Show More

    Mol. Formula:
    C19H15BrN2O3

    M.W.:
    399.24

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    85.34

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  19. ALA4280645

    Name:
    3-(3,5-difluoro-2-hydroxyphenyl)-1-phenylprop-2-en
    Show More

    Mol. Formula:
    C15H10F2O2

    M.W.:
    260.24

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  20. ALA4280344

    Name:
    3-(5-bromo-2-hydroxyphenyl)-1-(4-bromophenyl)prop-
    Show More

    Mol. Formula:
    C15H10Br2O2

    M.W.:
    382.05

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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