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  1. ALA4464479

    Name:
    2-(((2-bromophenyl)thio)methylene)cycloheptane-1,3
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    Mol. Formula:
    C14H13BrO2S

    M.W.:
    325.23

    Type:
    Unknown

    AlogP:
    4.14

    Polar Surface Area:
    34.14

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. ALA4473664

    Name:
    2-(((2,7-dioxocycloheptylidene)methyl)thio)benzoni
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    Mol. Formula:
    C15H13NO2S

    M.W.:
    271.34

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    57.93

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA4469022

    Name:
    2-(((2-fluorophenyl)thio)methylene)cycloheptane-1,
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    Mol. Formula:
    C14H13FO2S

    M.W.:
    264.32

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    34.14

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA4541524

    Name:
    2-(((2-nitrophenyl)thio)methylene)cycloheptane-1,3
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    Mol. Formula:
    C14H13NO4S

    M.W.:
    291.33

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    77.28

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA5272949

    Name:
    Aspercarboline C

    Mol. Formula:
    C16H16N2O3

    M.W.:
    284.31

    Type:
    ---

    AlogP:
    2.03

    Polar Surface Area:
    86.21

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA4453987

    Name:
    2-(((2-methylpyridin-3-yl)thio)methylene)cyclohept
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    Mol. Formula:
    C14H15NO2S

    M.W.:
    261.35

    Type:
    Unknown

    AlogP:
    3.08

    Polar Surface Area:
    47.03

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA4453379

    Name:
    1,8-bis(benzyloxy)-9,10-anthraquinone-N-(4-(2-hydr
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    Mol. Formula:
    C35H32N2O6

    M.W.:
    576.65

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    96.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4444850

    Name:
    2-(((2-chlorophenyl)thio)methylene)cycloheptane-1,
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    Mol. Formula:
    C14H13ClO2S

    M.W.:
    280.78

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    34.14

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA476847

    Name:
    (2E,5E)-2,5-bis(2-bromobenzylidene)cyclopentanone

    Mol. Formula:
    C19H14Br2O

    M.W.:
    418.13

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA478689

    Name:
    (1E,4E)-1,5-Bis(2,5-dimethylphenyl)penta-1,4-dien-
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    Mol. Formula:
    C21H22O

    M.W.:
    290.41

    Type:
    Small molecule

    AlogP:
    5.22

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. ALA517667

    Name:
    (2E,5E)-2,5-Bis(2-fluorobenzylidene)cyclopentanone

    Mol. Formula:
    C20H16F2O

    M.W.:
    310.34

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
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