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  1. ALA3392010

    Name:
    SID46501218

    Mol. Formula:
    C30H48O4

    M.W.:
    472.71

    Type:
    Small molecule

    AlogP:
    5.74

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA3391987

    Name:
    SID47195527

    Mol. Formula:
    C34H42BaO6

    M.W.:
    684.03

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA3391984

    Name:
    SID89855456

    Mol. Formula:
    C24H36O4

    M.W.:
    388.55

    Type:
    Small molecule

    AlogP:
    4.69

    Polar Surface Area:
    55.90

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  4. ALA3208566

    Name:
    SID22407580

    Mol. Formula:
    C24H26N4O4S

    M.W.:
    466.56

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    94.93

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA3191369

    Name:
    SID24806236

    Mol. Formula:
    C12H9N3O4

    M.W.:
    259.22

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    97.85

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA2373959

    Name:
    SID89854510

    Mol. Formula:
    C17H23N5O3

    M.W.:
    345.40

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    79.62

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  7. ALA2373958

    Name:
    SID46501260

    Mol. Formula:
    C25H41NO7

    M.W.:
    467.60

    Type:
    Small molecule

    AlogP:
    0.13

    Polar Surface Area:
    100.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA2373957

    Name:
    SID46501273

    Mol. Formula:
    C24H39NO7

    M.W.:
    453.58

    Type:
    Small molecule

    AlogP:
    -0.38

    Polar Surface Area:
    111.85

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA2373737

    Name:
    SID46501177

    Mol. Formula:
    C20H27NO3

    M.W.:
    329.44

    Type:
    Small molecule

    AlogP:
    1.11

    Polar Surface Area:
    63.93

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  10. ALA2145432

    Name:
    SID57268311

    Mol. Formula:
    C25H27N3O6

    M.W.:
    465.51

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    108.63

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA2145429

    Name:
    SID87336782

    Mol. Formula:
    C27H37ClN4O4

    M.W.:
    517.07

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    94.74

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA2145419

    Name:
    SID85200369

    Mol. Formula:
    C28H40N2O7

    M.W.:
    516.64

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    131.03

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  13. ALA2145415

    Name:
    SID89854999

    Mol. Formula:
    C20H17N5O

    M.W.:
    343.39

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    74.81

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  14. ALA2145406

    Name:
    SID49819801

    Mol. Formula:
    C28H26N4O3S

    M.W.:
    498.61

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    97.29

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA2145399

    Name:
    SID57267247

    Mol. Formula:
    C28H34N4O6

    M.W.:
    522.60

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    136.72

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA2145385

    Name:
    SID87342060

    Mol. Formula:
    C22H25FN2O5S

    M.W.:
    448.52

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  17. ALA2145378

    Name:
    SID85302042

    Mol. Formula:
    C33H41N5O6

    M.W.:
    603.72

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    128.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA2145377

    Name:
    SID85200000

    Mol. Formula:
    C13H16N2O3S

    M.W.:
    280.35

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    59.50

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  19. ALA2145364

    Name:
    SID17415888

    Mol. Formula:
    C18H18N2O4S

    M.W.:
    358.42

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    76.66

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA2145363

    Name:
    SID4264464

    Mol. Formula:
    C19H29N3O

    M.W.:
    315.46

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    35.58

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
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