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  1. ALA1604914

    Name:
    SID4253272

    Cas Number:
    79720-70-0

    Mol. Formula:
    C13H13NO2

    M.W.:
    215.25

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    53.09

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  2. ALA1604904

    Name:
    SID848930

    Mol. Formula:
    C15H13N5OS

    M.W.:
    311.37

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    71.87

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA1604836

    Name:
    SID4257473

    Mol. Formula:
    C22H28N2O5

    M.W.:
    400.48

    Type:
    Small molecule

    AlogP:
    0.98

    Polar Surface Area:
    107.11

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA1604705

    Name:
    SID7974597

    Mol. Formula:
    C14H20N2O2

    M.W.:
    248.33

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    41.57

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  5. ALA1604692

    Name:
    SID844303

    Mol. Formula:
    C20H19ClN4O3

    M.W.:
    398.85

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    103.16

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  6. ALA1604645

    Name:
    SID845210

    Cas Number:
    607336-31-2

    Mol. Formula:
    C24H21NO6

    M.W.:
    419.43

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    100.21

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA1604561

    Name:
    SID4255090

    Mol. Formula:
    C12H9F3N2O

    M.W.:
    254.21

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    35.01

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA1604540

    Name:
    SID846780

    Mol. Formula:
    C14H17NO2S

    M.W.:
    263.36

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    42.23

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  9. ALA1604481

    Name:
    SID4246923

    Mol. Formula:
    C14H16N2O4

    M.W.:
    276.29

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    92.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  10. ALA1604479

    Name:
    SID842227

    Mol. Formula:
    C19H25N5O5S2

    M.W.:
    467.57

    Type:
    Small molecule

    AlogP:
    0.72

    Polar Surface Area:
    129.64

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA1604474

    Name:
    SID4255808

    Mol. Formula:
    C29H33NO6

    M.W.:
    491.58

    Type:
    Small molecule

    AlogP:
    5.99

    Polar Surface Area:
    90.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA1604468

    Name:
    SID4252533

    Cas Number:
    29878-91-9

    Mol. Formula:
    C22H14O4

    M.W.:
    342.35

    Type:
    Small molecule

    AlogP:
    5.06

    Polar Surface Area:
    74.60

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  13. ALA1604435

    Name:
    SID4254549

    Mol. Formula:
    C17H23N3O

    M.W.:
    285.39

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    49.15

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  14. ALA1604423

    Name:
    SID4262739

    Mol. Formula:
    C22H23ClN2O7S

    M.W.:
    494.95

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    100.33

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA1604354

    Name:
    SID859377

    Mol. Formula:
    C19H15NO4

    M.W.:
    321.33

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    79.54

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  16. ALA1604265

    Name:
    SID847478

    Mol. Formula:
    C19H16N4O3

    M.W.:
    348.36

    Type:
    Small molecule

    AlogP:
    2.06

    Polar Surface Area:
    101.57

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  17. ALA1604229

    Name:
    SID7969486

    Cas Number:
    53257-02-6

    Mol. Formula:
    C15H16N2O3S

    M.W.:
    304.37

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  18. ALA1604176

    Name:
    SID3715844

    Mol. Formula:
    C17H20N4O4

    M.W.:
    344.37

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    113.18

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  19. ALA1604108

    Name:
    SID4263446

    Cas Number:
    618080-76-5

    Mol. Formula:
    C16H16N4O3

    M.W.:
    312.33

    Type:
    Small molecule

    AlogP:
    1.50

    Polar Surface Area:
    89.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA1604106

    Name:
    SID3716751

    Mol. Formula:
    C13H12N2OS

    M.W.:
    244.32

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    41.13

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
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