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  1. ALA4100667

    Name:
    4-((((5-(Aminomethyl)-6-isobutyl-2-methyl-4-(4-met
    Show More

    Mol. Formula:
    C27H32Cl2N2O4

    M.W.:
    519.47

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    102.51

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA3799074

    Name:
    (1R,2S,5S)-3-((2S,3R)-2-Amino-3-methylpentanoyl)-3
    Show More

    Mol. Formula:
    C14H20F3N3O3

    M.W.:
    335.33

    Type:
    Small molecule

    AlogP:
    0.73

    Polar Surface Area:
    70.12

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA3797299

    Name:
    (1R,2S,5S)-3-((S)-2-Amino-4-(4-(bis(4-fluorophenyl
    Show More

    Mol. Formula:
    C29H30F5N5O4

    M.W.:
    607.58

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    93.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  4. ALA3797536

    Name:
    (2S,3R)-2-Amino-3-methyl-1-(2-methyl-4H-pyrrolo[3,
    Show More

    Mol. Formula:
    C14H20F3N3O3S

    M.W.:
    367.39

    Type:
    Small molecule

    AlogP:
    1.67

    Polar Surface Area:
    59.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  5. ALA3797355

    Name:
    (S)-2-Amino-4-(4-(bis(4-fluorophenyl)methyl)pipera
    Show More

    Mol. Formula:
    C29H30F5N5O4S

    M.W.:
    639.65

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    82.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA3800380

    Name:
    (2S,3R)-2-Amino-3-methyl-1-(4H-pyrrolo[3,4-c]isoxa
    Show More

    Mol. Formula:
    C13H18F3N3O4

    M.W.:
    337.30

    Type:
    Small molecule

    AlogP:
    0.89

    Polar Surface Area:
    72.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  7. ALA3798277

    Name:
    (S)-2-Amino-4-(4-(bis(4-fluorophenyl)methyl)pipera
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    Mol. Formula:
    C28H28F5N5O5

    M.W.:
    609.55

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    95.91

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA3800132

    Name:
    (2S,3R)-2-Amino-3-methyl-1-(pyrrolo[3,4-c]pyrazol-
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    Mol. Formula:
    C13H19F3N4O3

    M.W.:
    336.31

    Type:
    Small molecule

    AlogP:
    0.63

    Polar Surface Area:
    75.01

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA3800436

    Name:
    (S)-2-Amino-4-(4-(bis(4-fluorophenyl)methyl)pipera
    Show More

    Mol. Formula:
    C28H29F5N6O4

    M.W.:
    608.57

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    98.56

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA3798691

    Name:
    (2S)-2-amino-4-(4-(bis(4-fluorophenyl)methyl)piper
    Show More

    Mol. Formula:
    C26H29F5N4O2

    M.W.:
    524.53

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    69.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  11. ALA3797398

    Name:
    (2S,3R)-2-amino-1-(3-ethylpyrrolidin-1-yl)-3-methy
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    Mol. Formula:
    C14H25F3N2O3

    M.W.:
    326.36

    Type:
    Small molecule

    AlogP:
    1.62

    Polar Surface Area:
    46.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA3797358

    Name:
    (2S)-2-amino-4-(4-(bis(4-fluorophenyl)methyl)piper
    Show More

    Mol. Formula:
    C31H36F8N4O6

    M.W.:
    712.64

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    69.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  13. ALA3798975

    Name:
    (2S,3R)-2-amino-3-methyl-1-(3-methylenepyrrolidin-
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    Mol. Formula:
    C13H21F3N2O3

    M.W.:
    310.32

    Type:
    Small molecule

    AlogP:
    1.15

    Polar Surface Area:
    46.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.69

    DETAILS
  14. ALA3800113

    Name:
    (S)-2-amino-4-(4-(bis(4-fluorophenyl)methyl)pipera
    Show More

    Mol. Formula:
    C30H32F8N4O6

    M.W.:
    696.59

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    69.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  15. ALA3797842

    Name:
    1-((S)-2-amino-5-(4-(bis(4-fluorophenyl)methyl)pip
    Show More

    Mol. Formula:
    C31H31F8N5O6

    M.W.:
    721.60

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    93.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA3798777

    Name:
    (2S,3R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-y
    Show More

    Mol. Formula:
    C13H23F3N2O3

    M.W.:
    312.33

    Type:
    Small molecule

    AlogP:
    1.23

    Polar Surface Area:
    46.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  17. ALA3799388

    Name:
    (2S)-2-amino-4-(4-(bis(4-fluorophenyl)methyl)piper
    Show More

    Mol. Formula:
    C28H33F5N4O4

    M.W.:
    584.59

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    69.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  18. ALA3798441

    Name:
    (2S)-1-((S)-2-amino-4-(4-(bis(4-fluorophenyl)methy
    Show More

    Mol. Formula:
    C31H33F8N5O6

    M.W.:
    723.62

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    93.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA3805179

    Name:
    (1S,2R,5S)-5-(7-Trifluoromethyl-1H,3H-2,4,7a,8-tet
    Show More

    Mol. Formula:
    C21H19F6N5

    M.W.:
    455.41

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    59.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA3804950

    Name:
    (2R,3S,5R)-2-(2,5-Difluoro-phenyl)-5-(7-methyl-1H,
    Show More

    Mol. Formula:
    C20H21F2N5O

    M.W.:
    385.42

    Type:
    Small molecule

    AlogP:
    2.49

    Polar Surface Area:
    68.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
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