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  1. ALA3192218

    Name:
    SID17506472

    Mol. Formula:
    C13H9N5O5

    M.W.:
    315.25

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    140.63

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  2. ALA2369532

    Name:
    (2S)-2-acetamido-3-((2S)-2-((2S,3R)-1-(1-amino-3-(naphthalen-1-yl)-1-oxoproShow More

    Mol. Formula:
    C27H36N5O10P

    M.W.:
    621.58

    Type:
    Protein

    AlogP:
    -1.18

    Polar Surface Area:
    237.69

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  3. ALA2369531

    Name:
    (2S)-2-acetamido-3-((2S)-2-((2S,3R)-1-(1-amino-3-(naphthalen-2-yl)-1-oxoproShow More

    Mol. Formula:
    C27H36N5O10P

    M.W.:
    621.58

    Type:
    Protein

    AlogP:
    -1.18

    Polar Surface Area:
    237.69

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA2145323

    Name:
    SID103073453

    Mol. Formula:
    C20H19ClN2O6S

    M.W.:
    450.90

    Type:
    Small molecule

    AlogP:
    1.72

    Polar Surface Area:
    132.14

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  5. ALA2145199

    Name:
    SID99456059

    Mol. Formula:
    C18H13F2NO3S

    M.W.:
    361.37

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    70.42

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA2144778

    Name:
    SID124754598

    Mol. Formula:
    C15H17ClN2O2

    M.W.:
    292.77

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    58.14

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  7. ALA2144775

    Name:
    SID124753886

    Mol. Formula:
    C11H10N4OS

    M.W.:
    246.29

    Type:
    Small molecule

    AlogP:
    2.02

    Polar Surface Area:
    52.83

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  8. ALA2144749

    Name:
    SID103076443

    Mol. Formula:
    C12H12N2OS

    M.W.:
    232.31

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    41.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  9. ALA2144744

    Name:
    SID99357897

    Mol. Formula:
    C23H40N6O4

    M.W.:
    464.61

    Type:
    Small molecule

    AlogP:
    1.78

    Polar Surface Area:
    112.82

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA2144669

    Name:
    SID103051242

    Mol. Formula:
    C16H21N5

    M.W.:
    283.38

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    44.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  11. ALA2144564

    Name:
    SID99360442

    Mol. Formula:
    C21H20O2

    M.W.:
    304.39

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  12. ALA2144503

    Name:
    SID121285944

    Mol. Formula:
    C19H15BrN2S

    M.W.:
    383.31

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    17.30

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  13. ALA2144388

    Name:
    SID121285710

    Mol. Formula:
    C14H12BrNO

    M.W.:
    290.16

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    29.10

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  14. ALA2144258

    Name:
    SID103075991

    Mol. Formula:
    C17H15FN2O2

    M.W.:
    298.32

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    58.14

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  15. ALA2144173

    Name:
    SID99454950

    Mol. Formula:
    C17H17N3O2

    M.W.:
    295.34

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    56.49

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  16. ALA2144146

    Name:
    SID103158796

    Mol. Formula:
    C14H15N3O3

    M.W.:
    273.29

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    77.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  17. ALA2144127

    Name:
    SID99358309

    Mol. Formula:
    C34H37F3N4O4

    M.W.:
    622.69

    Type:
    Small molecule

    AlogP:
    6.39

    Polar Surface Area:
    87.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. ALA2143992

    Name:
    SID99456285

    Mol. Formula:
    C17H18N4O3

    M.W.:
    326.36

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    82.18

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  19. ALA2143881

    Name:
    SID99356150

    Mol. Formula:
    C17H12O2

    M.W.:
    248.28

    Type:
    Small molecule

    AlogP:
    3.97

    Polar Surface Area:
    30.21

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  20. ALA2143836

    Name:
    SID121283270

    Mol. Formula:
    C15H11N3O4

    M.W.:
    297.27

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    98.00

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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