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  1. ALA3392053

    Name:
    SID49673434

    Mol. Formula:
    C14H15NO2

    M.W.:
    229.28

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    60.16

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA3214615

    Name:
    SID17412146

    Mol. Formula:
    C23H31N7

    M.W.:
    405.55

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    69.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA3214608

    Name:
    SID17403553

    Mol. Formula:
    C11H15N3O2S

    M.W.:
    253.33

    Type:
    Small molecule

    AlogP:
    1.07

    Polar Surface Area:
    61.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  4. ALA3214567

    Name:
    SID24830792

    Mol. Formula:
    C16H12ClN3O

    M.W.:
    297.75

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    57.25

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  5. ALA3214559

    Name:
    SID24789935

    Mol. Formula:
    C9H5N3OS

    M.W.:
    203.23

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    69.27

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. ALA3214546

    Name:
    SID24817716

    Mol. Formula:
    C16H15NO3

    M.W.:
    269.30

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    47.89

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA3214427

    Name:
    SID857302

    Mol. Formula:
    C15H12N4O

    M.W.:
    264.29

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    52.30

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  8. ALA3214420

    Name:
    SID49824650

    Mol. Formula:
    C22H24N10O2

    M.W.:
    460.50

    Type:
    Small molecule

    AlogP:
    1.70

    Polar Surface Area:
    143.59

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA3214214

    Name:
    SID24800881

    Mol. Formula:
    C26H29N3O4S

    M.W.:
    479.60

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    88.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA3214194

    Name:
    SID49679816

    Mol. Formula:
    C17H16BrN3O3

    M.W.:
    390.24

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    90.79

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  11. ALA3214181

    Name:
    SID17410522

    Mol. Formula:
    C15H15N3O2

    M.W.:
    269.30

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    63.58

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  12. ALA3214082

    Name:
    SID26666373

    Mol. Formula:
    C19H18FN3O2

    M.W.:
    339.37

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    55.62

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  13. ALA3214018

    Name:
    SID26665732

    Mol. Formula:
    C17H13ClN4O

    M.W.:
    324.77

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    67.24

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA3213979

    Name:
    SID49671498

    Mol. Formula:
    C18H22N2O4S

    M.W.:
    362.45

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    77.73

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  15. ALA3213906

    Name:
    SID26724276

    Mol. Formula:
    C11H12N2O3S2

    M.W.:
    284.36

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    66.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  16. ALA3213865

    Name:
    SID49825944

    Mol. Formula:
    C11H8BrN3OS

    M.W.:
    310.18

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    54.35

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  17. ALA3213859

    Name:
    SID17385864

    Mol. Formula:
    C20H26N6O

    M.W.:
    366.47

    Type:
    Small molecule

    AlogP:
    1.48

    Polar Surface Area:
    60.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  18. ALA3213783

    Name:
    SID7977126

    Mol. Formula:
    C14H18N6O2

    M.W.:
    302.34

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    86.97

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  19. ALA3213693

    Name:
    SID49823574

    Mol. Formula:
    C17H18N2O4S

    M.W.:
    346.41

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    76.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  20. ALA3213610

    Name:
    SID857447

    Mol. Formula:
    C12H14N2O

    M.W.:
    202.26

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    37.52

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.43

    DETAILS
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