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  1. ALA3213646

    Name:
    SID14737645

    Mol. Formula:
    C15H10N4OS

    M.W.:
    294.34

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    66.47

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  2. ALA1607604

    Name:
    SID24792102

    Mol. Formula:
    C17H17N3OS

    M.W.:
    311.41

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    48.68

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  3. ALA1604626

    Name:
    SID24812482

    Mol. Formula:
    C17H21N3O2S

    M.W.:
    331.44

    Type:
    Small molecule

    AlogP:
    1.40

    Polar Surface Area:
    45.55

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  4. ALA1587044

    Name:
    SID7969643

    Mol. Formula:
    C19H14FN3O2S

    M.W.:
    367.41

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    68.02

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA1586131

    Name:
    SID14728169

    Mol. Formula:
    C24H21N3O2S

    M.W.:
    415.52

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    77.24

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  6. ALA1583741

    Name:
    SID4251101

    Mol. Formula:
    C19H16N2O4S

    M.W.:
    368.41

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    69.56

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  7. ALA1564547

    Name:
    SID860576

    Mol. Formula:
    C23H20N2O6

    M.W.:
    420.42

    Type:
    Small molecule

    AlogP:
    3.78

    Polar Surface Area:
    102.10

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  8. ALA1557028

    Name:
    SID22414030

    Mol. Formula:
    C21H22NO6P

    M.W.:
    415.38

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    75.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA1556161

    Name:
    SID14723266

    Mol. Formula:
    C9H14N4O3S

    M.W.:
    258.30

    Type:
    Small molecule

    AlogP:
    0.48

    Polar Surface Area:
    97.23

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA1547272

    Name:
    SID860743

    Mol. Formula:
    C24H22N2O7

    M.W.:
    450.45

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    111.33

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  11. ALA1542650

    Name:
    SID22409932

    Mol. Formula:
    C25H23ClN4O3S

    M.W.:
    495.00

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    84.30

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA1539264

    Name:
    SID4250137

    Mol. Formula:
    C13H12N2OS

    M.W.:
    244.32

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    38.92

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA1536363

    Name:
    SID861656

    Mol. Formula:
    C21H18N2O5S

    M.W.:
    410.45

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    92.87

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  14. ALA1529930

    Name:
    SID24836506

    Mol. Formula:
    C17H12N4O2S

    M.W.:
    336.38

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    73.81

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  15. ALA1528753

    Name:
    SID4249382

    Mol. Formula:
    C16H17ClN2O2S

    M.W.:
    336.84

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    42.31

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  16. ALA1526553

    Name:
    SID14726122

    Mol. Formula:
    C17H13N3OS

    M.W.:
    307.38

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    58.80

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA1510408

    Name:
    SID14722674

    Mol. Formula:
    C9H14N4O3S

    M.W.:
    258.30

    Type:
    Small molecule

    AlogP:
    0.62

    Polar Surface Area:
    97.23

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA1510387

    Name:
    SID24812472

    Mol. Formula:
    C24H28ClN3O2S

    M.W.:
    458.03

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    54.34

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  19. ALA1508025

    Name:
    SID24829546

    Mol. Formula:
    C15H16N2O2S

    M.W.:
    288.37

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    42.43

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  20. ALA1501928

    Name:
    SID3712568

    Mol. Formula:
    C13H11BrO4S

    M.W.:
    343.20

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    56.51

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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