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  1. ALA3786188

    Name:
    3-benzoyl-9-phenyl-1-p-tolyl-4,6-dithia-1,2,9-tria
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    Mol. Formula:
    C24H19N3O2S2

    M.W.:
    445.57

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    52.98

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA3785340

    Name:
    4-(4-(dimethylamino)styryl)-1-hexylpyridinium iodi
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    Mol. Formula:
    C21H29IN2

    M.W.:
    436.38

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    7.12

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. ALA3786265

    Name:
    4-(4-(dimethylamino)styryl)-1-(4-fluorobenzyl)pyri
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    Mol. Formula:
    C22H22FIN2

    M.W.:
    460.33

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    7.12

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA3621882

    Name:
    2-{1-[(3S)-1-Benzoylpiperidin-3-yl]-1H-1,2,3-triaz
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    Mol. Formula:
    C20H19N5O3

    M.W.:
    377.40

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA3621881

    Name:
    2-{1-[(3R)-1-Benzoylpiperidin-3-yl]-1H-1,2,3-triaz
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    Mol. Formula:
    C20H19N5O3

    M.W.:
    377.40

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  6. ALA3621880

    Name:
    rac-2-[1-(1-Phenylpropanoylpiperidin-3-yl)-1H-1,2,
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    Mol. Formula:
    C22H23N5O3

    M.W.:
    405.46

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  7. ALA3621879

    Name:
    rac-2-[1-(1-Phenylacetylpiperidin-3-yl)-1H-1,2,3-t
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    Mol. Formula:
    C21H21N5O3

    M.W.:
    391.43

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  8. ALA3621878

    Name:
    rac-2-[1-(1-Benzoylpiperidin-3-yl)-1H-1,2,3-triazo
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    Mol. Formula:
    C20H19N5O3

    M.W.:
    377.40

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  9. ALA3621877

    Name:
    rac-2-[1-(1-Butyrylpiperidin-3-yl)-1H-1,2,3-triazo
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    Mol. Formula:
    C17H21N5O3

    M.W.:
    343.39

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA3621876

    Name:
    rac-2-[1-(1-Propionylpiperidin-3-yl)-1H-1,2,3-tria
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    Mol. Formula:
    C16H19N5O3

    M.W.:
    329.36

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  11. ALA3621875

    Name:
    rac-2-[1-(1-Acetylpiperidin-3-yl)-1H-1,2,3-triazol
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    Mol. Formula:
    C15H17N5O3

    M.W.:
    315.33

    Type:
    Small molecule

    AlogP:
    1.22

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  12. ALA3621874

    Name:
    rac-2-[1-(1-Phenylpropanoylpyrrolidin-3-yl)-1H-1,2
    Show More

    Mol. Formula:
    C21H21N5O3

    M.W.:
    391.43

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  13. ALA3621873

    Name:
    rac-2-[1-(1-Phenylacetylpyrrolidin-3-yl)-1H-1,2,3-
    Show More

    Mol. Formula:
    C20H19N5O3

    M.W.:
    377.40

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  14. ALA3621872

    Name:
    rac-2-[1-(1-Benzoylpyrrolidin-3-yl)-1H-1,2,3-triaz
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    Mol. Formula:
    C19H17N5O3

    M.W.:
    363.38

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  15. ALA3621871

    Name:
    rac-2-[1-(1-Butyrylpyrrolidin-3-yl)-1H-1,2,3-triaz
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    Mol. Formula:
    C16H19N5O3

    M.W.:
    329.36

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  16. ALA3621870

    Name:
    2-[1-(1-Phenylpropanoylazetidin-3-yl)-1H-1,2,3-tri
    Show More

    Mol. Formula:
    C20H19N5O3

    M.W.:
    377.40

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA3621869

    Name:
    2-[1-(1-Phenylacetylazetidin-3-yl)-1H-1,2,3-triazo
    Show More

    Mol. Formula:
    C19H17N5O3

    M.W.:
    363.38

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  18. ALA3621868

    Name:
    2-[1-(1-Benzoylazetidin-3-yl)-1H-1,2,3-triazol-4-y
    Show More

    Mol. Formula:
    C18H15N5O3

    M.W.:
    349.35

    Type:
    Small molecule

    AlogP:
    1.74

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  19. ALA3621867

    Name:
    2-[1-(1-Butyrylazetidin-3-yl)-1H-1,2,3-triazol-4-y
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    Mol. Formula:
    C15H17N5O3

    M.W.:
    315.33

    Type:
    Small molecule

    AlogP:
    1.22

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  20. ALA3621866

    Name:
    2-[1-(1-Propionylazetidin-3-yl)-1H-1,2,3-triazol-4
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    Mol. Formula:
    C14H15N5O3

    M.W.:
    301.31

    Type:
    Small molecule

    AlogP:
    0.83

    Polar Surface Area:
    101.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
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