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  1. ALA4525511

    Name:
    6-(3,4-Dimethoxyphenyl)-3-phenethylisothiazolo[4,3
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    Mol. Formula:
    C22H20N2O2S

    M.W.:
    376.48

    Type:
    Unknown

    AlogP:
    5.16

    Polar Surface Area:
    44.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA4522263

    Name:
    6-(3,4-Dimethoxyphenyl)-3-(pyridin-3-ylethynyl)iso
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    Mol. Formula:
    C21H15N3O2S

    M.W.:
    373.44

    Type:
    Unknown

    AlogP:
    4.17

    Polar Surface Area:
    57.13

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. ALA4535001

    Name:
    2-(6-(tert-butylsulfonyl)-4-(4,5-dimethyl-1H-pyraz
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    Mol. Formula:
    C19H25N5O4S

    M.W.:
    419.51

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    130.09

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4531690

    Name:
    NA

    Cas Number:
    1638644-62-8

    Mol. Formula:
    C16H15ClN4O2

    M.W.:
    330.78

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    60.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA4556662

    Name:
    6-Chloro-N-(3,4,5-trimethoxyphenyl)quinolin-4-amin
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    Mol. Formula:
    C18H17ClN2O3

    M.W.:
    344.80

    Type:
    Unknown

    AlogP:
    4.66

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA4529993

    Name:
    6-(3,4-Dimethoxyphenyl)-3-(m-tolyl)isothiazolo[4,3
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    Mol. Formula:
    C21H18N2O2S

    M.W.:
    362.45

    Type:
    Unknown

    AlogP:
    5.35

    Polar Surface Area:
    44.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA4517342

    Name:
    6-(3,4-Dimethoxyphenyl)-3-(phenylethynyl)isothiazo
    Show More

    Mol. Formula:
    C22H16N2O2S

    M.W.:
    372.45

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    44.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA4745028

    Name:
    (R)-N-((1-(6-(4-amino-3-methoxyphenyl)isothiazolo[
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    Mol. Formula:
    C23H27N5O2S

    M.W.:
    437.57

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    93.37

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  9. ALA4744568

    Name:
    6-fluoro-N-(3,4,5-trimethoxyphenyl)quinolin-4-amin
    Show More

    Mol. Formula:
    C18H17FN2O3

    M.W.:
    328.34

    Type:
    Unknown

    AlogP:
    4.14

    Polar Surface Area:
    52.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA4740761

    Name:
    N-(3-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-b
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    Mol. Formula:
    C24H23N5O2S

    M.W.:
    445.55

    Type:
    Unknown

    AlogP:
    5.24

    Polar Surface Area:
    93.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA4764705

    Name:
    N-(3-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-b
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    Mol. Formula:
    C22H20N4O2S

    M.W.:
    404.50

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    90.13

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA4762694

    Name:
    N-(3-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-b
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    Mol. Formula:
    C23H22N4O2S

    M.W.:
    418.52

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    90.13

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA4576567

    Name:
    6-(3,4-Dimethoxyphenyl)-3-phenylisothiazolo[4,3-b]
    Show More

    Mol. Formula:
    C20H16N2O2S

    M.W.:
    348.43

    Type:
    Unknown

    AlogP:
    5.04

    Polar Surface Area:
    44.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  14. ALA4575895

    Name:
    4-(3,4,5-trimethoxyphenylamino)quinoline-7-carboni
    Show More

    Mol. Formula:
    C19H17N3O3

    M.W.:
    335.36

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    76.40

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  15. ALA4574041

    Name:
    6-(3,4-Dimethoxyphenyl)-3-(pyridin-4-yl)isothiazol
    Show More

    Mol. Formula:
    C19H15N3O2S

    M.W.:
    349.42

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    57.13

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  16. ALA4760106

    Name:
    N-((1-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-
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    Mol. Formula:
    C24H31N5O2S

    M.W.:
    453.61

    Type:
    Unknown

    AlogP:
    4.33

    Polar Surface Area:
    93.37

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  17. ALA4759566

    Name:
    N-((1-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-
    Show More

    Mol. Formula:
    C22H27N5O2S

    M.W.:
    425.56

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    93.37

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA4756485

    Name:
    N-((1-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-
    Show More

    Mol. Formula:
    C22H25N5O2S

    M.W.:
    423.54

    Type:
    Unknown

    AlogP:
    3.47

    Polar Surface Area:
    93.37

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA4579614

    Name:
    6-(3,4-Dimethoxyphenyl)-3-(thiophen-3-yl)isothiazo
    Show More

    Mol. Formula:
    C18H14N2O2S2

    M.W.:
    354.46

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    44.24

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  20. ALA4779229

    Name:
    N-(3-(6-(4-amino-3-methoxyphenyl)isothiazolo[4,3-b
    Show More

    Mol. Formula:
    C25H24N4O2S

    M.W.:
    444.56

    Type:
    Unknown

    AlogP:
    5.74

    Polar Surface Area:
    90.13

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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