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  1. ALA4647070

    Name:
    N-(2-ethyl-6-methyl-phenyl)-4-(pyrrolidine-1-carbonyl)pyridine-3-sulfonamidShow More

    Mol. Formula:
    C19H23N3O3S

    M.W.:
    373.48

    Type:
    Unknown

    AlogP:
    2.99

    Polar Surface Area:
    79.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  2. ALA4638490

    Name:
    6-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]pyrazine-2-carbShow More

    Mol. Formula:
    C18H21FN4O2

    M.W.:
    344.39

    Type:
    Unknown

    AlogP:
    1.54

    Polar Surface Area:
    92.34

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  3. ALA4635203

    Name:
    N-(3,5-dimethoxyphenyl)-3-[1-[(4-fluoro-3-methoxy-phenyl)methyl]-3-piperidyShow More

    Mol. Formula:
    C24H31FN2O4

    M.W.:
    430.52

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA2374001

    Name:
    SID46501272

    Mol. Formula:
    C25H41NO7

    M.W.:
    467.60

    Type:
    Small molecule

    AlogP:
    0.27

    Polar Surface Area:
    100.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA2362966

    Name:
    SID99454084

    Mol. Formula:
    C18H14FNO3S

    M.W.:
    343.38

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    70.42

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  6. ALA2362959

    Name:
    SID124754111

    Mol. Formula:
    C23H22N2O4

    M.W.:
    390.44

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    71.78

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  7. ALA2362948

    Name:
    SID22410381

    Mol. Formula:
    C21H23N3O4S

    M.W.:
    413.50

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    87.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  8. ALA2362930

    Name:
    SID124754496

    Mol. Formula:
    C13H18N2O3S2

    M.W.:
    314.43

    Type:
    Small molecule

    AlogP:
    1.30

    Polar Surface Area:
    58.64

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  9. ALA2362922

    Name:
    SID103159533

    Mol. Formula:
    C16H17NO3S

    M.W.:
    303.38

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    57.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  10. ALA2362898

    Name:
    SID99494573

    Mol. Formula:
    C22H24N2O5S

    M.W.:
    428.51

    Type:
    Small molecule

    AlogP:
    2.22

    Polar Surface Area:
    92.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA2362893

    Name:
    SID103050547

    Mol. Formula:
    C22H31N7O2

    M.W.:
    425.54

    Type:
    Small molecule

    AlogP:
    1.23

    Polar Surface Area:
    91.57

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA2362852

    Name:
    SID24269559

    Mol. Formula:
    C36H33N5O3

    M.W.:
    583.69

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    100.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA2362835

    Name:
    SID125306521

    Mol. Formula:
    C19H17N3O2

    M.W.:
    319.36

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    64.41

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  14. ALA2362801

    Name:
    SID103076233

    Mol. Formula:
    C17H15ClFNO3

    M.W.:
    335.76

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  15. ALA2362739

    Name:
    SID103075516

    Mol. Formula:
    C18H25N3O2S

    M.W.:
    347.48

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    73.20

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  16. ALA2362707

    Name:
    SID99361120

    Mol. Formula:
    C17H19N3O7

    M.W.:
    377.35

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    144.80

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA2362674

    Name:
    SID124755680

    Mol. Formula:
    C20H25NO5

    M.W.:
    359.42

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    72.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  18. ALA2362616

    Name:
    SID103163199

    Mol. Formula:
    C19H24ClNO3

    M.W.:
    349.86

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    57.61

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  19. ALA2362605

    Name:
    SID99495380

    Mol. Formula:
    C22H26N2O4S

    M.W.:
    414.53

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  20. ALA2362600

    Name:
    SID124754494

    Mol. Formula:
    C13H18N2O3S2

    M.W.:
    314.43

    Type:
    Small molecule

    AlogP:
    1.30

    Polar Surface Area:
    58.64

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
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