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  1. ALA5280484

    Name:
    5-[3-[(1R,2E,4R,6E,8S,9S,12R)-4,8,14,14-tetramethyl-11-oxo-10,13,15-trioxabShow More

    Mol. Formula:
    C27H36O6

    M.W.:
    456.58

    Type:
    ---

    AlogP:
    5.38

    Polar Surface Area:
    82.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. ALA5271744

    Name:
    8-[(1R,2E,4R,8S,9R,12R)-4,8,14,14-tetramethyl-11-oxo-10,13,15-trioxabicycloShow More

    Mol. Formula:
    C24H40O6

    M.W.:
    424.58

    Type:
    ---

    AlogP:
    5.25

    Polar Surface Area:
    82.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA3392057

    Name:
    SID26659547

    Mol. Formula:
    C21H12BrClN4

    M.W.:
    435.71

    Type:
    Small molecule

    AlogP:
    6.05

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA3214119

    Name:
    SID22402520

    Mol. Formula:
    C15H9Cl2N3O3S3

    M.W.:
    446.36

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    94.52

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA3214096

    Name:
    SID24810080

    Mol. Formula:
    C20H26N8O2

    M.W.:
    410.48

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    112.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. ALA3213747

    Name:
    SID17387043

    Mol. Formula:
    C16H18FN3O2S

    M.W.:
    335.40

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    45.14

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. ALA3213659

    Name:
    SID24789863

    Mol. Formula:
    C17H13BrN4O

    M.W.:
    369.22

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    70.40

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA3213606

    Name:
    SID26661555

    Mol. Formula:
    C17H15N3O6

    M.W.:
    357.32

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    123.29

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA3213534

    Name:
    SID24795286

    Mol. Formula:
    C14H16N2O3S

    M.W.:
    292.36

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    71.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA3213459

    Name:
    SID26659779

    Mol. Formula:
    C16H9BrF3N3O4

    M.W.:
    444.16

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    101.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  11. ALA3213413

    Name:
    SID16953591

    Mol. Formula:
    C17H25N3S

    M.W.:
    303.48

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    36.42

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA3213034

    Name:
    SID49828590

    Mol. Formula:
    C19H16BrN9O3

    M.W.:
    498.30

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    169.37

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  13. ALA3212930

    Name:
    SID22405060

    Mol. Formula:
    C27H22N4O2S

    M.W.:
    466.57

    Type:
    Small molecule

    AlogP:
    4.87

    Polar Surface Area:
    86.35

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  14. ALA3212523

    Name:
    SID49827413

    Mol. Formula:
    C14H15N3O3S

    M.W.:
    305.36

    Type:
    Small molecule

    AlogP:
    1.79

    Polar Surface Area:
    80.65

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  15. ALA3212285

    Name:
    SID17431476

    Mol. Formula:
    C22H22FN3O3

    M.W.:
    395.43

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    83.69

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  16. ALA3212271

    Name:
    SID49716284

    Mol. Formula:
    C19H22ClN9O3

    M.W.:
    459.90

    Type:
    Small molecule

    AlogP:
    1.73

    Polar Surface Area:
    160.58

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  17. ALA3211808

    Name:
    SID17412725

    Mol. Formula:
    C14H12N4S2

    M.W.:
    300.41

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    50.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA3211781

    Name:
    SID24809981

    Mol. Formula:
    C23H24FN3O3

    M.W.:
    409.46

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    83.69

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA3211754

    Name:
    SID24822698

    Mol. Formula:
    C23H19N3OS

    M.W.:
    385.49

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    45.56

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  20. ALA3211496

    Name:
    SID26671003

    Mol. Formula:
    C14H14FN5O3S

    M.W.:
    351.36

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    113.28

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
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