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  1. ALA1603316

    Name:
    SID861249

    Mol. Formula:
    C19H21N5O

    M.W.:
    335.41

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    77.99

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA3189655

    Name:
    SID14745717

    Mol. Formula:
    C22H33N3OS

    M.W.:
    387.59

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    44.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA1611351

    Name:
    SID3711709

    Mol. Formula:
    C15H23N3O4S

    M.W.:
    341.43

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    95.58

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  4. ALA1586187

    Name:
    SID14743525

    Mol. Formula:
    C19H25N3OS

    M.W.:
    343.50

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    38.25

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ALA1580502

    Name:
    SID17402709

    Cas Number:
    477859-05-5

    Mol. Formula:
    C21H22FN5O

    M.W.:
    379.44

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    51.18

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  6. ALA1575941

    Name:
    SID17412140

    Mol. Formula:
    C18H20N2O5S

    M.W.:
    376.43

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    106.71

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA1571303

    Name:
    SID14722150

    Cas Number:
    700851-16-7

    Mol. Formula:
    C17H17Cl2N3O3

    M.W.:
    382.25

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    65.79

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  8. ALA1560469

    Name:
    SID14734780

    Mol. Formula:
    C20H23N3O5S

    M.W.:
    417.49

    Type:
    Small molecule

    AlogP:
    2.02

    Polar Surface Area:
    80.34

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  9. ALA1558290

    Name:
    SID14741490

    Cas Number:
    725219-54-5

    Mol. Formula:
    C16H21N5S

    M.W.:
    315.45

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    52.55

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA1555373

    Name:
    SID4240458

    Mol. Formula:
    C19H20FN5O2

    M.W.:
    369.40

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    78.43

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  11. ALA1538566

    Name:
    SID858549

    Mol. Formula:
    C17H14F3N3O5

    M.W.:
    397.31

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    95.18

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  12. ALA1535101

    Name:
    SID4247577

    Mol. Formula:
    C18H37N3O4S

    M.W.:
    391.58

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    78.95

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  13. ALA1528578

    Name:
    SID14723890

    Mol. Formula:
    C16H24N2O4

    M.W.:
    308.38

    Type:
    Small molecule

    AlogP:
    1.16

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  14. ALA1528351

    Name:
    SID4251186

    Mol. Formula:
    C24H32FN3O3S

    M.W.:
    461.60

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    69.72

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA1512596

    Name:
    SID4254035

    Mol. Formula:
    C10H10BrNO4

    M.W.:
    288.10

    Type:
    Small molecule

    AlogP:
    1.81

    Polar Surface Area:
    86.63

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  16. ALA1511574

    Name:
    SID14731234

    Mol. Formula:
    C15H21Cl2NO5

    M.W.:
    366.24

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    21.26

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  17. ALA1510007

    Name:
    SID17408570

    Mol. Formula:
    C17H30ClNO3S

    M.W.:
    363.95

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    50.41

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA1503501

    Name:
    SID14722206

    Mol. Formula:
    C14H15NO2

    M.W.:
    229.28

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    56.23

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  19. ALA1486406

    Name:
    SID860927

    Cas Number:
    536719-40-1

    Mol. Formula:
    C21H26ClN5O2S

    M.W.:
    447.99

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    65.06

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  20. ALA1482283

    Name:
    SID7965021

    Mol. Formula:
    C17H15ClFN5

    M.W.:
    343.79

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    68.76

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
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