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  1. ALA5287592

    Name:
    Cis-2-((1s,3s)-3-chlorocyclobutane-1-carboxamido)-
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    Mol. Formula:
    C22H18Cl2N4O2

    M.W.:
    441.32

    Type:
    ---

    AlogP:
    5.01

    Polar Surface Area:
    83.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA5287551

    Name:
    6-methoxy-N-(pyridin-4-yl)benzo[d]thiazole-2-carbo
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    Mol. Formula:
    C14H11N3O2S

    M.W.:
    285.33

    Type:
    ---

    AlogP:
    2.95

    Polar Surface Area:
    64.11

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA5287294

    Name:
    2-(cyclobutanecarboxamido)-N-(5-phenylpyridin-3-yl
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    Mol. Formula:
    C22H20N4O2

    M.W.:
    372.43

    Type:
    ---

    AlogP:
    4.13

    Polar Surface Area:
    83.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA5285051

    Name:
    6-methoxy-2-(1-(4-nitrobenzyl)-1H-1,2,3-triazol-4-
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    Mol. Formula:
    C17H13N5O3S

    M.W.:
    367.39

    Type:
    ---

    AlogP:
    3.52

    Polar Surface Area:
    95.97

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA5283139

    Name:
    6-methoxy-2-(1-(4-nitrophenethyl)-1H-1,2,3-triazol
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    Mol. Formula:
    C18H15N5O3S

    M.W.:
    381.42

    Type:
    ---

    AlogP:
    3.71

    Polar Surface Area:
    95.97

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  6. ALA5278438

    Name:
    8-(4-(6-methoxybenzo[d]thiazol-2-yl)-1H-1,2,3-tria
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    Mol. Formula:
    C18H24N4O2S

    M.W.:
    360.48

    Type:
    ---

    AlogP:
    3.90

    Polar Surface Area:
    73.06

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  7. ALA5290786

    Name:
    N-(3-(8-methoxy-4,5-dihydro-3H-pyrimido[5,4-b]indo
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    Mol. Formula:
    C21H30N4O

    M.W.:
    354.50

    Type:
    ---

    AlogP:
    4.31

    Polar Surface Area:
    43.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  8. ALA5290735

    Name:
    4-cyanobenzyl 6-methoxybenzo[d]thiazole-2-carboxyl
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    Mol. Formula:
    C17H12N2O3S

    M.W.:
    324.36

    Type:
    ---

    AlogP:
    3.53

    Polar Surface Area:
    72.21

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA5290220

    Name:
    N-(4-(hydroxymethyl)phenyl)-6-methoxybenzo[d]thiaz
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    Mol. Formula:
    C16H14N2O3S

    M.W.:
    314.37

    Type:
    ---

    AlogP:
    3.05

    Polar Surface Area:
    71.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA5287804

    Name:
    N-(3-cyanophenyl)-6-methoxybenzo[d]thiazole-2-carb
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    Mol. Formula:
    C16H11N3O2S

    M.W.:
    309.35

    Type:
    ---

    AlogP:
    3.43

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  11. ALA1092473

    Name:
    SID50106973

    Cas Number:
    66357-59-3

    Mol. Formula:
    C13H23ClN4O3S

    M.W.:
    350.87

    Type:
    Small molecule

    AlogP:
    1.46

    Polar Surface Area:
    83.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA1604949

    Name:
    SID24409124

    Mol. Formula:
    C23H18FN3O3

    M.W.:
    403.41

    Type:
    Small molecule

    AlogP:
    3.97

    Polar Surface Area:
    72.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  13. ALA1604944

    Name:
    SID24275190

    Mol. Formula:
    C23H22F3N3O4S

    M.W.:
    493.51

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    82.57

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA1604938

    Name:
    SID24268438

    Mol. Formula:
    C29H29ClN4O5

    M.W.:
    549.03

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    96.87

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA1604937

    Name:
    SID24409389

    Mol. Formula:
    C19H17ClN2O2

    M.W.:
    340.81

    Type:
    Small molecule

    AlogP:
    4.68

    Polar Surface Area:
    51.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  16. ALA1604936

    Name:
    SID50110686

    Mol. Formula:
    C20H27NO5

    M.W.:
    361.44

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    81.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA1604918

    Name:
    SID24387853

    Mol. Formula:
    C27H27N3O5S

    M.W.:
    505.60

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    124.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA1604915

    Name:
    SID24812914

    Mol. Formula:
    C17H23N5O3S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    88.61

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA1604878

    Name:
    SID4257237

    Cas Number:
    333985-78-7

    Mol. Formula:
    C11H20N2O3

    M.W.:
    228.29

    Type:
    Small molecule

    AlogP:
    0.94

    Polar Surface Area:
    49.85

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.66

    DETAILS
  20. ALA1604877

    Name:
    SID26754043

    Mol. Formula:
    C23H27NO6

    M.W.:
    413.47

    Type:
    Small molecule

    AlogP:
    0.69

    Polar Surface Area:
    110.46

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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