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  1. ALA3145355

    Name:
    SID121286004

    Mol. Formula:
    C10H12N2O

    M.W.:
    176.22

    Type:
    Small molecule

    AlogP:
    1.91

    Polar Surface Area:
    37.79

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.71

    DETAILS
  2. ALA2145375

    Name:
    SID103159729

    Mol. Formula:
    C19H15ClN4S

    M.W.:
    366.88

    Type:
    Small molecule

    AlogP:
    5.70

    Polar Surface Area:
    49.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA2145350

    Name:
    SID103059800

    Mol. Formula:
    C24H23N3O2

    M.W.:
    385.47

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    62.30

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  4. ALA2145256

    Name:
    SID57258451

    Mol. Formula:
    C21H21N3O7S2

    M.W.:
    491.55

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    132.06

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  5. ALA2145180

    Name:
    SID99454724

    Mol. Formula:
    C19H21N5O2S

    M.W.:
    383.48

    Type:
    Small molecule

    AlogP:
    2.41

    Polar Surface Area:
    79.26

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  6. ALA2145061

    Name:
    SID99358499

    Mol. Formula:
    C21H29BrN4O6S

    M.W.:
    545.46

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    125.21

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA2144955

    Name:
    SID103074414

    Mol. Formula:
    C23H25N5O3S

    M.W.:
    451.55

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    80.99

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA2144943

    Name:
    SID124753123

    Mol. Formula:
    C15H15N3O4

    M.W.:
    301.30

    Type:
    Small molecule

    AlogP:
    0.47

    Polar Surface Area:
    80.23

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  9. ALA2144939

    Name:
    SID99494863

    Mol. Formula:
    C21H26N2O4S

    M.W.:
    402.52

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  10. ALA2144931

    Name:
    SID124752934

    Mol. Formula:
    C23H20BrF3N4O5

    M.W.:
    569.33

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    78.68

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA2144922

    Name:
    SID99359198

    Mol. Formula:
    C22H27BrN4O4

    M.W.:
    491.39

    Type:
    Small molecule

    AlogP:
    2.16

    Polar Surface Area:
    95.86

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  12. ALA2144828

    Name:
    SID92764510

    Mol. Formula:
    C14H16O4

    M.W.:
    248.28

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA2144707

    Name:
    SID99360142

    Mol. Formula:
    C28H30F3N3O5

    M.W.:
    545.56

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    69.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  14. ALA2144681

    Name:
    SID125306845

    Mol. Formula:
    C23H23FN4O

    M.W.:
    390.46

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    48.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  15. ALA2144532

    Name:
    SID125306132

    Mol. Formula:
    C28H31F3N4O3

    M.W.:
    528.58

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    82.08

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  16. ALA2144476

    Name:
    SID125306101

    Mol. Formula:
    C31H25N3O4

    M.W.:
    503.56

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    80.23

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  17. ALA2144328

    Name:
    SID99358143

    Mol. Formula:
    C28H37N5O6S

    M.W.:
    571.70

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    127.09

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA2144215

    Name:
    SID103050487

    Mol. Formula:
    C17H14N2O3S

    M.W.:
    326.38

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    64.47

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  19. ALA2144102

    Name:
    SID124754931

    Mol. Formula:
    C19H25F3N2O3

    M.W.:
    386.41

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    27.05

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA2144082

    Name:
    SID103075602

    Mol. Formula:
    C27H28N4O6

    M.W.:
    504.54

    Type:
    Small molecule

    AlogP:
    2.31

    Polar Surface Area:
    159.96

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
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