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  1. ALA4476482

    Name:
    N-(1,3-benzodioxol-5-yl)-2-[(E)-2-(2-methoxyphenyl
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    Mol. Formula:
    C24H19N3O3

    M.W.:
    397.43

    Type:
    Unknown

    AlogP:
    5.28

    Polar Surface Area:
    65.50

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  2. ALA4475966

    Name:
    N-[1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3
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    Mol. Formula:
    C15H12Cl2N4O

    M.W.:
    335.19

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    57.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  3. ALA4539405

    Name:
    2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-o
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    Mol. Formula:
    C16H11N3O3

    M.W.:
    293.28

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    88.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA4538423

    Name:
    2-Cyano-N-(6-(3,4-dichlorophenyl)pyridin-2-yl)acet
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    Mol. Formula:
    C14H9Cl2N3O

    M.W.:
    306.15

    Type:
    Unknown

    AlogP:
    3.91

    Polar Surface Area:
    65.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  5. ALA4538292

    Name:
    rac-N-[1-(3,4-Dichlorophenyl)-4-(2-hydroxyethyl)-4
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    Mol. Formula:
    C17H16Cl2N4O2

    M.W.:
    379.25

    Type:
    Unknown

    AlogP:
    2.95

    Polar Surface Area:
    77.82

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  6. ALA4538256

    Name:
    N-[1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3
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    Mol. Formula:
    C15H12Cl2N4O

    M.W.:
    335.19

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    57.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  7. ALA4537164

    Name:
    2-Cyano-N-[4-(3,4-dichlorophenyl)-1H-imidazol-2-yl
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    Mol. Formula:
    C12H8Cl2N4O

    M.W.:
    295.13

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    81.57

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  8. ALA4536009

    Name:
    N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1,3-th
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    Mol. Formula:
    C13H7Cl2N3OS2

    M.W.:
    356.26

    Type:
    Unknown

    AlogP:
    4.83

    Polar Surface Area:
    54.88

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA4536000

    Name:
    N-(5-(3-methyl-1,2,4-oxadiazol-5-yl)thiazol-2-yl)a
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    Mol. Formula:
    C8H8N4O2S

    M.W.:
    224.25

    Type:
    Unknown

    AlogP:
    1.46

    Polar Surface Area:
    80.91

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  10. ALA4524615

    Name:
    (S)-4-isopropyl-N-(3-((4-methylpiperazin-1-yl)meth
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    Mol. Formula:
    C30H35F3N6O

    M.W.:
    552.65

    Type:
    Unknown

    AlogP:
    5.25

    Polar Surface Area:
    64.60

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA4522850

    Name:
    (R)-N-[1-(3,4-dichlorophenyl)-5-methyl-4,5-dihydro
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    Mol. Formula:
    C12H13Cl2N3O

    M.W.:
    286.16

    Type:
    Unknown

    AlogP:
    3.04

    Polar Surface Area:
    44.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  12. ALA4520919

    Name:
    2-Cyano-N-[5-(3,4-dichlorophenyl)-1,2,4-thiadiazol
    Show More

    Mol. Formula:
    C11H6Cl2N4OS

    M.W.:
    313.17

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    78.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  13. ALA4535076

    Name:
    3-[[2-[(E)-2-(3-chlorophenyl)vinyl]quinazolin-4-yl
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    Mol. Formula:
    C22H16ClN3O

    M.W.:
    373.84

    Type:
    Unknown

    AlogP:
    5.90

    Polar Surface Area:
    58.04

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  14. ALA4533277

    Name:
    N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-pyri
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    Cas Number:
    420090-03-5

    Mol. Formula:
    C15H9Cl2N3OS

    M.W.:
    350.23

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    54.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  15. ALA4533001

    Name:
    N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]ac
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    Mol. Formula:
    C11H8ClFN2OS

    M.W.:
    270.72

    Type:
    Unknown

    AlogP:
    3.56

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  16. ALA4559739

    Name:
    2-Cyano-N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl
    Show More

    Mol. Formula:
    C12H7Cl2N3OS

    M.W.:
    312.18

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    65.78

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  17. ALA4559299

    Name:
    2-[(E)-2-(4-butoxyphenyl)ethenyl]quinazolin-4(3H)-
    Show More

    Mol. Formula:
    C20H20N2O2

    M.W.:
    320.39

    Type:
    Unknown

    AlogP:
    4.27

    Polar Surface Area:
    54.98

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA4558049

    Name:
    N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]ac
    Show More

    Mol. Formula:
    C12H11ClN2OS

    M.W.:
    266.75

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  19. ALA4553117

    Name:
    4-[[2-[(E)-2-(3-chlorophenyl)vinyl]quinazolin-4-yl
    Show More

    Mol. Formula:
    C22H16ClN3O

    M.W.:
    373.84

    Type:
    Unknown

    AlogP:
    5.90

    Polar Surface Area:
    58.04

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA4571618

    Name:
    (R)-4-isopropyl-N-(3-((4-methylpiperazin-1-yl)meth
    Show More

    Mol. Formula:
    C30H35F3N6O

    M.W.:
    552.65

    Type:
    Unknown

    AlogP:
    5.25

    Polar Surface Area:
    64.60

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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