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  1. ALA3938768

    Name:
    Crinipellin H

    Mol. Formula:
    C19H26O3

    M.W.:
    302.41

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    49.83

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  2. ALA2431955

    Name:
    4-(N-(4-cyclohexylbenzyl)-2-(2,3,4,5,6-pentafluoro-N-(2-(trifluoromethyl)beShow More

    Mol. Formula:
    C36H30F8N2O6S

    M.W.:
    770.70

    Type:
    Small molecule

    AlogP:
    8.28

    Polar Surface Area:
    115.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  3. ALA1986725

    Name:
    SID24818298

    Mol. Formula:
    C14H13BrN4O2

    M.W.:
    349.19

    Type:
    Small molecule

    AlogP:
    1.65

    Polar Surface Area:
    82.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA1736997

    Name:
    SID57288042

    Mol. Formula:
    C24H23N3S

    M.W.:
    385.54

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    29.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA1736334

    Name:
    SID57288036

    Mol. Formula:
    C27H34N4OS

    M.W.:
    462.66

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    41.49

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA1736009

    Name:
    SID85261426

    Mol. Formula:
    C14H14N2O3

    M.W.:
    258.28

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    64.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  7. ALA1735352

    Name:
    SID57288063

    Mol. Formula:
    C17H13N3O3

    M.W.:
    307.31

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    98.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  8. ALA1729988

    Name:
    SID85261424

    Mol. Formula:
    C13H11ClN2O2

    M.W.:
    262.70

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    55.13

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  9. ALA1729867

    Name:
    SID81080222

    Mol. Formula:
    C18H16FN3OS

    M.W.:
    341.41

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    46.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA1729319

    Name:
    SID85261425

    Mol. Formula:
    C14H13BrN2O3

    M.W.:
    337.17

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    64.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  11. ALA1726793

    Name:
    SID85281104

    Mol. Formula:
    C18H19N3OS

    M.W.:
    325.44

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    49.25

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  12. ALA1723042

    Name:
    SID57287833

    Mol. Formula:
    C20H21N3O2S

    M.W.:
    367.47

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    55.32

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  13. ALA1722282

    Name:
    SID57288064

    Mol. Formula:
    C17H14N2O3

    M.W.:
    294.31

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    64.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA1720750

    Name:
    SID57288040

    Mol. Formula:
    C20H21N3OS

    M.W.:
    351.48

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    46.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  15. ALA1720343

    Name:
    SID81080223

    Mol. Formula:
    C18H17N3OS

    M.W.:
    323.42

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    46.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  16. ALA1717477

    Name:
    SID57288068

    Mol. Formula:
    C14H14N2O2

    M.W.:
    242.28

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    46.34

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.83

    DETAILS
  17. ALA1714020

    Name:
    SID85281103

    Mol. Formula:
    C22H23N3OS

    M.W.:
    377.51

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    46.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA1712106

    Name:
    SID57287838

    Mol. Formula:
    C22H25N3S

    M.W.:
    363.53

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    29.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA1711955

    Name:
    SID57287843

    Mol. Formula:
    C29H31N3S

    M.W.:
    453.66

    Type:
    Small molecule

    AlogP:
    6.62

    Polar Surface Area:
    29.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA1711489

    Name:
    SID57288041

    Mol. Formula:
    C23H27N3OS

    M.W.:
    393.56

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    49.25

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
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