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  1. ALA3197798

    Name:
    SID17504888

    Mol. Formula:
    C22H20N2O5

    M.W.:
    392.41

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    101.13

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA3197264

    Name:
    SID17504056

    Mol. Formula:
    C18H13N3O4

    M.W.:
    335.32

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    104.79

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA3195145

    Name:
    SID24813891

    Mol. Formula:
    C24H24N4O5

    M.W.:
    448.48

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    124.23

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA3194876

    Name:
    SID24779997

    Mol. Formula:
    C13H12N4O3S

    M.W.:
    304.33

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    110.00

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  5. ALA3194666

    Name:
    SID24789653

    Mol. Formula:
    C15H11N5O5

    M.W.:
    341.28

    Type:
    Small molecule

    AlogP:
    1.37

    Polar Surface Area:
    156.84

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  6. ALA3193405

    Name:
    SID22406171

    Mol. Formula:
    C18H14Cl2N4O2

    M.W.:
    389.24

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    79.51

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA3192541

    Name:
    SID26724296

    Mol. Formula:
    C16H18N4O5S2

    M.W.:
    410.48

    Type:
    Small molecule

    AlogP:
    1.37

    Polar Surface Area:
    134.49

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA3191954

    Name:
    SID24814677

    Mol. Formula:
    C23H17N3O3S

    M.W.:
    415.47

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    76.60

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA3145017

    Name:
    SID7974892

    Mol. Formula:
    C18H18N2O5S

    M.W.:
    374.42

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    101.39

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  10. ALA2007178

    Name:
    SID26725822

    Mol. Formula:
    C21H14BrN3O4

    M.W.:
    452.26

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    96.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  11. ALA2005973

    Name:
    SID26671145

    Mol. Formula:
    C23H16ClN3O5S

    M.W.:
    481.92

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    120.99

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  12. ALA2004417

    Name:
    SID17504207

    Mol. Formula:
    C14H11N5O4

    M.W.:
    313.27

    Type:
    Small molecule

    AlogP:
    2.33

    Polar Surface Area:
    136.67

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA2001396

    Name:
    SID24823311

    Mol. Formula:
    C22H12N2O6S

    M.W.:
    432.41

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    122.11

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA1995948

    Name:
    SID4243236

    Mol. Formula:
    C12H10N2O3

    M.W.:
    230.22

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    74.82

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA1991573

    Name:
    SID26671137

    Mol. Formula:
    C21H12N2O4S

    M.W.:
    388.40

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    84.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA1987928

    Name:
    SID26670610

    Mol. Formula:
    C10H8N2O4S2

    M.W.:
    284.32

    Type:
    Small molecule

    AlogP:
    1.00

    Polar Surface Area:
    93.36

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  17. ALA1981657

    Name:
    SID17416093

    Mol. Formula:
    C13H11N5O6

    M.W.:
    333.26

    Type:
    Small molecule

    AlogP:
    0.78

    Polar Surface Area:
    176.58

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. ALA1967185

    Name:
    SID26725815

    Mol. Formula:
    C25H15ClN2O5

    M.W.:
    458.86

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    105.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  19. ALA1966224

    Name:
    SID22406561

    Mol. Formula:
    C20H16N2O3

    M.W.:
    332.36

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    85.41

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA1609419

    Name:
    SID17504521

    Mol. Formula:
    C17H14N6O5S

    M.W.:
    414.40

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    149.07

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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