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  1. ALA1940535

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C30H37ClN4OS

    M.W.:
    537.17

    Type:
    Small molecule

    AlogP:
    6.23

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA1940534

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C29H34ClFN4OS

    M.W.:
    541.14

    Type:
    Small molecule

    AlogP:
    6.06

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  3. ALA1940533

    Name:
    ((1S,2S,4R)-4-(2-(4-chlorophenyl)propan-2-ylamino)
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    Mol. Formula:
    C29H34Cl2N4OS

    M.W.:
    557.59

    Type:
    Small molecule

    AlogP:
    6.58

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA1940532

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C29H34ClN5O3S

    M.W.:
    568.14

    Type:
    Small molecule

    AlogP:
    5.83

    Polar Surface Area:
    91.61

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA1940531

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C31H37ClN4O2S

    M.W.:
    565.18

    Type:
    Small molecule

    AlogP:
    6.08

    Polar Surface Area:
    57.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  6. ALA1940530

    Name:
    ((1S,2S,4R)-4-(1-(4-bromophenyl)cyclobutylamino)-2
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    Mol. Formula:
    C30H34BrClN4OS

    M.W.:
    614.05

    Type:
    Small molecule

    AlogP:
    6.83

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA1940529

    Name:
    ((1S,2S,4R)-4-(1-(3-bromophenyl)cyclobutylamino)-2
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    Mol. Formula:
    C30H34BrClN4OS

    M.W.:
    614.05

    Type:
    Small molecule

    AlogP:
    6.83

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA1940528

    Name:
    ((1S,2S,4R)-4-(1-(2-bromophenyl)cyclobutylamino)-2
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    Mol. Formula:
    C30H34BrClN4OS

    M.W.:
    614.05

    Type:
    Small molecule

    AlogP:
    6.83

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA1940527

    Name:
    ((1S,2S,4R)-4-((R)-1-(4-bromophenyl)ethylamino)-2-
    Show More

    Mol. Formula:
    C28H32BrClN4OS

    M.W.:
    588.02

    Type:
    Small molecule

    AlogP:
    6.51

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA1940526

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C31H37ClN4O2S

    M.W.:
    565.18

    Type:
    Small molecule

    AlogP:
    6.08

    Polar Surface Area:
    57.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA1940525

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C30H35ClN4O2S

    M.W.:
    551.16

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    57.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA1940372

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C30H37ClN4O2S

    M.W.:
    553.17

    Type:
    Small molecule

    AlogP:
    5.93

    Polar Surface Area:
    57.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  13. ALA1940371

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C28H33ClN4OS

    M.W.:
    509.12

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    48.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA1940370

    Name:
    (4-(5-chloropyridin-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C28H33ClN4O2S

    M.W.:
    525.12

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    57.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA1940369

    Name:
    (4-(1H-benzo[d]imidazol-2-yl)piperazin-1-yl)((1S,2
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    Mol. Formula:
    C31H37N5O2S

    M.W.:
    543.74

    Type:
    Small molecule

    AlogP:
    5.58

    Polar Surface Area:
    73.49

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA1940368

    Name:
    (4-(benzo[d]oxazol-2-yl)piperazin-1-yl)((1S,2S,4R)
    Show More

    Mol. Formula:
    C31H36N4O3S

    M.W.:
    544.72

    Type:
    Small molecule

    AlogP:
    5.85

    Polar Surface Area:
    70.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA1940367

    Name:
    (4-(benzo[d]thiazol-2-yl)piperazin-1-yl)((1S,2S,4R
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    Mol. Formula:
    C31H36N4O2S2

    M.W.:
    560.79

    Type:
    Small molecule

    AlogP:
    6.32

    Polar Surface Area:
    57.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  18. ALA1940366

    Name:
    ((1S,2S,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-
    Show More

    Mol. Formula:
    C27H32F3N5O2S2

    M.W.:
    579.71

    Type:
    Small molecule

    AlogP:
    5.58

    Polar Surface Area:
    70.59

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA1940365

    Name:
    (4-(5-bromothiazol-2-yl)piperazin-1-yl)((1S,2S,4R)
    Show More

    Mol. Formula:
    C27H33BrN4O2S2

    M.W.:
    589.63

    Type:
    Small molecule

    AlogP:
    5.93

    Polar Surface Area:
    57.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  20. ALA1940364

    Name:
    ((1S,2S,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-
    Show More

    Mol. Formula:
    C27H34N4O2S2

    M.W.:
    510.73

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    57.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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