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Items 1-20 of 247

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  1. ALA1950863

    Name:
    (S)-N-((S)-1-(2-(1H-indol-3-yl)ethyl)piperidin-3-y
    Show More

    Mol. Formula:
    C25H39N5O2

    M.W.:
    441.62

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    89.26

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  2. ALA1950862

    Name:
    (S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido
    Show More

    Mol. Formula:
    C22H37N5O2

    M.W.:
    403.57

    Type:
    Small molecule

    AlogP:
    1.34

    Polar Surface Area:
    86.36

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA1950861

    Name:
    (S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido
    Show More

    Mol. Formula:
    C22H37N5O2

    M.W.:
    403.57

    Type:
    Small molecule

    AlogP:
    1.34

    Polar Surface Area:
    86.36

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  4. ALA1950860

    Name:
    (S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido
    Show More

    Mol. Formula:
    C24H37F3N4O2

    M.W.:
    470.58

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA1950859

    Name:
    (S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido
    Show More

    Mol. Formula:
    C23H37N5O4

    M.W.:
    447.58

    Type:
    Small molecule

    AlogP:
    1.86

    Polar Surface Area:
    116.61

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA1950858

    Name:
    (S)-N-((S)-1-(4-Hydroxyphenethyl)piperidin-3-yl)-3
    Show More

    Mol. Formula:
    C23H38N4O3

    M.W.:
    418.58

    Type:
    Small molecule

    AlogP:
    1.65

    Polar Surface Area:
    93.70

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA1950857

    Name:
    (S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido
    Show More

    Mol. Formula:
    C24H40N4O2

    M.W.:
    416.61

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  8. ALA1950856

    Name:
    (S)-N-((S)-1-(4-Bromophenethyl)piperidin-3-yl)-3,3
    Show More

    Mol. Formula:
    C23H37BrN4O2

    M.W.:
    481.48

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  9. ALA1950855

    Name:
    (S)-N-((S)-1-(4-Chlorophenethyl)piperidin-3-yl)-3,
    Show More

    Mol. Formula:
    C23H37ClN4O2

    M.W.:
    437.03

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  10. ALA1950854

    Name:
    (S)-N-((S)-1-(4-Methoxyphenethyl)piperidin-3-yl)-3
    Show More

    Mol. Formula:
    C24H40N4O3

    M.W.:
    432.61

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    82.70

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA1950853

    Name:
    (S)-N-((S)-1-(3-Methoxyphenethyl)piperidin-3-yl)-3
    Show More

    Mol. Formula:
    C24H40N4O3

    M.W.:
    432.61

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    82.70

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  12. ALA1950852

    Name:
    (S)-N-((S)-1-(2-Methoxyphenethyl)piperidin-3-yl)-3
    Show More

    Mol. Formula:
    C24H40N4O3

    M.W.:
    432.61

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    82.70

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA1950851

    Name:
    (S)-N-((S)-1-(4-Fluorophenethyl)piperidin-3-yl)-3,
    Show More

    Mol. Formula:
    C23H37FN4O2

    M.W.:
    420.57

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  14. ALA1950850

    Name:
    (S)-N-((S)-1-Cyclohexyl-2-((S)-1-(4-fluorophenethy
    Show More

    Mol. Formula:
    C25H39FN4O2

    M.W.:
    446.61

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA1950849

    Name:
    (S)-N-((S)-1-Cyclohexyl-2-((S)-1-(3-fluorophenethy
    Show More

    Mol. Formula:
    C25H39FN4O2

    M.W.:
    446.61

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  16. ALA1950848

    Name:
    (S)-N-((S)-1-Cyclohexyl-2-((S)-1-(2-fluorophenethy
    Show More

    Mol. Formula:
    C25H39FN4O2

    M.W.:
    446.61

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA1950847

    Name:
    (S)-N-((S)-1-(benzylsulfonyl)piperidin-3-yl)-3,3-d
    Show More

    Mol. Formula:
    C22H36N4O4S

    M.W.:
    452.62

    Type:
    Small molecule

    AlogP:
    1.24

    Polar Surface Area:
    107.61

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  18. ALA1950846

    Name:
    (S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido
    Show More

    Mol. Formula:
    C21H34N4O4S

    M.W.:
    438.59

    Type:
    Small molecule

    AlogP:
    1.09

    Polar Surface Area:
    107.61

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  19. ALA1950845

    Name:
    (S)-N-((S)-1-Cyclohexyl-2-oxo-2-((S)-1-((R)-1,2,3,
    Show More

    Mol. Formula:
    C27H42N4O2

    M.W.:
    454.66

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  20. ALA1950844

    Name:
    (S)-N-((S)-1-Cyclohexyl-2-((S)-1-(2,2-diphenylethy
    Show More

    Mol. Formula:
    C31H44N4O2

    M.W.:
    504.72

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    73.47

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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