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  1. ALA3856144

    Name:
    SID26755293

    Mol. Formula:
    C26H42O22S2

    M.W.:
    770.73

    Type:
    Small molecule

    AlogP:
    -6.34

    Polar Surface Area:
    333.42

    HBA:
    20

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  2. ALA3348955

    Name:
    SID26755777

    Mol. Formula:
    C33H48O6

    M.W.:
    540.74

    Type:
    Small molecule

    AlogP:
    6.78

    Polar Surface Area:
    100.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  3. ALA3214629

    Name:
    SID22403840

    Mol. Formula:
    C18H17ClN2O3

    M.W.:
    344.80

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    59.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA3214310

    Name:
    SID26658495

    Mol. Formula:
    C25H21N5O5

    M.W.:
    471.47

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    132.21

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  5. ALA3214236

    Name:
    SID22411372

    Mol. Formula:
    C24H21N3O5S2

    M.W.:
    495.58

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    105.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA3213938

    Name:
    SID24833672

    Mol. Formula:
    C10H8F3N3O2

    M.W.:
    259.19

    Type:
    Small molecule

    AlogP:
    0.64

    Polar Surface Area:
    84.55

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA3213660

    Name:
    SID17507967

    Mol. Formula:
    C23H21N3O2S

    M.W.:
    403.51

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    68.85

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  8. ALA3213542

    Name:
    SID17402598

    Mol. Formula:
    C18H14BrN3O3S

    M.W.:
    432.30

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    76.71

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  9. ALA3213353

    Name:
    SID17504944

    Mol. Formula:
    C12H12N4O4

    M.W.:
    276.25

    Type:
    Small molecule

    AlogP:
    -0.33

    Polar Surface Area:
    123.38

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA3213098

    Name:
    SID17506976

    Mol. Formula:
    C25H23N3O7

    M.W.:
    477.47

    Type:
    Small molecule

    AlogP:
    3.97

    Polar Surface Area:
    129.36

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA3213029

    Name:
    SID14737068

    Mol. Formula:
    C15H17N3O

    M.W.:
    255.32

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    46.39

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA3213025

    Name:
    SID17517342

    Mol. Formula:
    C17H16N2O3S2

    M.W.:
    360.46

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    71.66

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  13. ALA3213009

    Name:
    SID24786826

    Mol. Formula:
    C14H16BrN3O5

    M.W.:
    386.20

    Type:
    Small molecule

    AlogP:
    0.78

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA3212941

    Name:
    SID17387500

    Mol. Formula:
    C19H21ClFN3O2

    M.W.:
    377.85

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    57.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  15. ALA3212812

    Name:
    SID17513584

    Mol. Formula:
    C13H15N3OS

    M.W.:
    261.35

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    46.39

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  16. ALA3212703

    Name:
    SID14742363

    Mol. Formula:
    C26H32N4O4S2

    M.W.:
    528.70

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    76.37

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  17. ALA3212675

    Name:
    SID17509059

    Mol. Formula:
    C23H19N3O5

    M.W.:
    417.42

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    110.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA3212668

    Name:
    SID24791783

    Mol. Formula:
    C15H17N3O4

    M.W.:
    303.32

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    97.06

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA3212648

    Name:
    SID22409725

    Mol. Formula:
    C31H39N5O5

    M.W.:
    561.68

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    126.17

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  20. ALA3212636

    Name:
    SID26661145

    Mol. Formula:
    C21H22N4O3S

    M.W.:
    410.50

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    84.84

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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