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  1. ALA1604803

    Name:
    SID3714091

    Mol. Formula:
    C14H10N2O4S3

    M.W.:
    366.45

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    86.20

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. ALA1604788

    Name:
    SID4250515

    Cas Number:
    26345-14-2

    Mol. Formula:
    C9H10N2O2

    M.W.:
    178.19

    Type:
    Small molecule

    AlogP:
    1.28

    Polar Surface Area:
    55.14

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA1604780

    Name:
    SID24817099

    Cas Number:
    315695-11-5

    Mol. Formula:
    C14H18N4O2S2

    M.W.:
    338.46

    Type:
    Small molecule

    AlogP:
    1.35

    Polar Surface Area:
    101.13

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA1604547

    Name:
    SID848012

    Mol. Formula:
    C17H16FN3O2S

    M.W.:
    345.40

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    60.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA1604398

    Name:
    SID14726036

    Mol. Formula:
    C22H18N6O4S

    M.W.:
    462.49

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    132.01

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA1604290

    Name:
    SID4256642

    Mol. Formula:
    C23H29N3O4S

    M.W.:
    443.57

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    70.16

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA1604189

    Name:
    SID24780921

    Mol. Formula:
    C18H15NO3S

    M.W.:
    325.39

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    70.42

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA1603577

    Name:
    SID17401155

    Mol. Formula:
    C15H23N3OS2

    M.W.:
    325.50

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    53.49

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  9. ALA1603460

    Name:
    SID26756250

    Mol. Formula:
    C26H24N4O2

    M.W.:
    424.50

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    78.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  10. ALA1603442

    Name:
    SID24783788

    Mol. Formula:
    C20H28N2O2

    M.W.:
    328.46

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    39.85

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  11. ALA1603005

    Name:
    SID24823755

    Mol. Formula:
    C14H12N2O4S2

    M.W.:
    336.39

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    89.31

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA1602728

    Name:
    SID7965003

    Mol. Formula:
    C20H23N5O4

    M.W.:
    397.44

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    113.52

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  13. ALA1602661

    Name:
    SID17411229

    Cas Number:
    338395-42-9

    Mol. Formula:
    C19H17ClF6N2O5S

    M.W.:
    534.86

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    93.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA1602360

    Name:
    SID24833560

    Mol. Formula:
    C28H34N4O4

    M.W.:
    490.60

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    113.18

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA1601959

    Name:
    SID17386728

    Mol. Formula:
    C16H9F3N2O3

    M.W.:
    334.25

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  16. ALA1601846

    Name:
    SID26666750

    Mol. Formula:
    C12H6O8

    M.W.:
    278.17

    Type:
    Small molecule

    AlogP:
    0.72

    Polar Surface Area:
    141.34

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  17. ALA1601573

    Name:
    SID3714518

    Mol. Formula:
    C22H20N4O3S

    M.W.:
    420.49

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    90.14

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA1601496

    Name:
    SID17415920

    Cas Number:
    428493-01-0

    Mol. Formula:
    C19H20Cl2O5

    M.W.:
    399.27

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA1601394

    Name:
    SID24841425

    Mol. Formula:
    C21H20O10

    M.W.:
    432.38

    Type:
    Small molecule

    AlogP:
    0.09

    Polar Surface Area:
    181.05

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA1601328

    Name:
    SID24779779

    Mol. Formula:
    C32H37N3O7

    M.W.:
    575.66

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    102.70

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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