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  1. ALA3856092

    Name:
    SID24780148

    Mol. Formula:
    C16H11N7O5S

    M.W.:
    413.38

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    174.81

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. ALA3856090

    Name:
    SID24781728

    Mol. Formula:
    C16H11N7O5S

    M.W.:
    413.38

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    174.81

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  3. ALA3856088

    Name:
    SID24784551

    Mol. Formula:
    C16H11ClN6O3S

    M.W.:
    402.82

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    131.67

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. ALA3392075

    Name:
    SID24821804

    Mol. Formula:
    C17H24N4O3S

    M.W.:
    364.47

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    74.77

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA3392064

    Name:
    SID24822345

    Mol. Formula:
    C14H11N3S

    M.W.:
    253.33

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    43.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA3391890

    Name:
    SID3715042

    Mol. Formula:
    C16H17N5OS2

    M.W.:
    359.48

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    104.69

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA3391713

    Name:
    SID3717395

    Mol. Formula:
    C19H18FN3O3

    M.W.:
    355.37

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    98.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA3391701

    Name:
    SID26756220

    Mol. Formula:
    C32H37N3O5

    M.W.:
    543.66

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    89.99

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA3349009

    Name:
    SID26750026

    Mol. Formula:
    C8H8LiNO5

    M.W.:
    205.09

    Type:
    Small molecule

    AlogP:
    -1.10

    Polar Surface Area:
    87.07

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA3348827

    Name:
    SID29215012

    Mol. Formula:
    C24H31FO6

    M.W.:
    434.50

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  11. ALA3348820

    Name:
    SID29215411

    Mol. Formula:
    C36H49N5O8S

    M.W.:
    711.88

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    118.03

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  12. ALA3214632

    Name:
    SID17508900

    Mol. Formula:
    C26H28N4O5S

    M.W.:
    508.60

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    117.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  13. ALA3214630

    Name:
    SID17511817

    Mol. Formula:
    C24H24N4O2S

    M.W.:
    432.55

    Type:
    Small molecule

    AlogP:
    5.48

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA3214617

    Name:
    SID17512480

    Mol. Formula:
    C17H16N4O2

    M.W.:
    308.34

    Type:
    Small molecule

    AlogP:
    1.36

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA3214607

    Name:
    SID24822295

    Mol. Formula:
    C12H10F3N3O

    M.W.:
    269.23

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    61.27

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  16. ALA3214580

    Name:
    SID864411

    Mol. Formula:
    C25H21N5O5

    M.W.:
    471.47

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    120.21

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3214555

    Name:
    SID4264015

    Mol. Formula:
    C19H15NO4

    M.W.:
    321.33

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    68.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  18. ALA3214537

    Name:
    SID22403300

    Mol. Formula:
    C14H12N4O5

    M.W.:
    316.27

    Type:
    Small molecule

    AlogP:
    1.07

    Polar Surface Area:
    126.84

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA3214524

    Name:
    SID4256275

    Mol. Formula:
    C12H18N4O3

    M.W.:
    266.30

    Type:
    Small molecule

    AlogP:
    -0.62

    Polar Surface Area:
    68.83

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA3214520

    Name:
    SID24821449

    Mol. Formula:
    C14H15NO2

    M.W.:
    229.28

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    38.66

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.58

    DETAILS
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