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  1. ALA4177499

    Name:
    2-Fluoro-3-{6-[(4-fluoro-3-hydroxyphenyl)amino]pyridin-2-yl}phenol

    Mol. Formula:
    C17H12F2N2O2

    M.W.:
    314.29

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    65.38

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. ALA4175585

    Name:
    2-Fluoro-3-{6-[1-(4-fluoro-3-hydroxyphenyl)ethenyl]pyridin-2-yl}phenol

    Mol. Formula:
    C19H13F2NO2

    M.W.:
    325.31

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    53.35

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  3. ALA4171902

    Name:
    (4-Fluoro-3-hydroxyphenyl)(quinolin-2-yl)methanone

    Mol. Formula:
    C16H10FNO2

    M.W.:
    267.26

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    50.19

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA4171183

    Name:
    2-Fluoro-3-[6-(4-fluoro-3-hydroxyphenoxy)pyridin-2-yl]phenol

    Mol. Formula:
    C17H11F2NO3

    M.W.:
    315.27

    Type:
    Small molecule

    AlogP:
    4.23

    Polar Surface Area:
    62.58

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  5. ALA4169325

    Name:
    2-Fluoro-3-{6-[(4-fluoro-3-hydroxyphenyl)(methyl)amino]pyridin-2-yl}phenol

    Mol. Formula:
    C18H14F2N2O2

    M.W.:
    328.32

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    56.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  6. ALA4165659

    Name:
    (4-Fluoro-3-hydroxyphenyl)(naphthalen-2-yl)methanone

    Mol. Formula:
    C17H11FO2

    M.W.:
    266.27

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA4164576

    Name:
    (7-Aminoquinolin-2-yl)(4-fluoro-3-hydroxyphenyl)methanone

    Mol. Formula:
    C16H11FN2O2

    M.W.:
    282.27

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    76.21

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA4114885

    Name:
    US9346839, 7

    Mol. Formula:
    C21H25N2O7PS

    M.W.:
    480.48

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    116.21

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA4114467

    Name:
    US9346839, 8

    Mol. Formula:
    C17H19N2O5PS

    M.W.:
    394.39

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    89.91

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  10. ALA4113396

    Name:
    US9346839, 6

    Mol. Formula:
    C21H25N2O7PS

    M.W.:
    480.48

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    116.21

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  11. ALA4110134

    Name:
    US9346839, 11

    Mol. Formula:
    C15H18N3O4PS

    M.W.:
    367.37

    Type:
    Small molecule

    AlogP:
    4.23

    Polar Surface Area:
    85.47

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  12. ALA4109182

    Name:
    US9346839, 15

    Mol. Formula:
    C17H18FN2O4PS

    M.W.:
    396.38

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    69.68

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA4107959

    Name:
    US9346839, 5

    Mol. Formula:
    C18H18FN2O6PS

    M.W.:
    440.39

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    106.98

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA4107342

    Name:
    US9346839, 4

    Mol. Formula:
    C19H21N2O7PS

    M.W.:
    452.43

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    116.21

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA4107326

    Name:
    US9346839, 10

    Mol. Formula:
    C15H17N2O4PS2

    M.W.:
    384.42

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    69.68

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  16. ALA4107064

    Name:
    US9346839, 9

    Mol. Formula:
    C17H19N2O5PS

    M.W.:
    394.39

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    89.91

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  17. ALA3824045

    Name:
    1-(2-Mercaptophenyl)-3-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)urea

    Mol. Formula:
    C15H10F3N3O2S2

    M.W.:
    385.39

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    63.25

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  18. ALA3822871

    Name:
    Methyl 4-(3-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)ureido)benzoate

    Mol. Formula:
    C17H12F3N3O4S

    M.W.:
    411.36

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    89.55

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  19. ALA3823027

    Name:
    2-Methoxy-5-(3-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)ureido)benzoic aciShow More

    Mol. Formula:
    C17H12F3N3O5S

    M.W.:
    427.36

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    109.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  20. ALA3822873

    Name:
    1-(3,4-dimethoxyphenyl)-3-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)urea

    Mol. Formula:
    C17H14F3N3O4S

    M.W.:
    413.38

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    81.71

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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