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  1. ALA4781549

    Name:
    N-(2-(4-(4-Acetamidobenzyl)phenoxy)ethyl)acetamide

    Mol. Formula:
    C19H22N2O3

    M.W.:
    326.40

    Type:
    Unknown

    AlogP:
    2.75

    Polar Surface Area:
    67.43

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  2. ALA3684922

    Name:
    US8604061, 296

    Mol. Formula:
    C9H8Cl2N2O

    M.W.:
    231.08

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
  3. ALA3684921

    Name:
    US8604061, 243

    Mol. Formula:
    C10H7Cl2F3N2O

    M.W.:
    299.08

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  4. ALA3684920

    Name:
    US8604061, 82 (S,R)

    Mol. Formula:
    C12H16N2O

    M.W.:
    204.27

    Type:
    Small molecule

    AlogP:
    1.89

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.82

    DETAILS
  5. ALA3684919

    Name:
    US8604061, 80 (R)

    Mol. Formula:
    C11H14N2O

    M.W.:
    190.25

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  6. ALA3684918

    Name:
    US8604061, 374

    Mol. Formula:
    C10H11ClN2O

    M.W.:
    210.66

    Type:
    Small molecule

    AlogP:
    2.03

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  7. ALA3684917

    Name:
    US8604061, 371

    Mol. Formula:
    C10H8F4N2O

    M.W.:
    248.18

    Type:
    Small molecule

    AlogP:
    2.23

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  8. ALA3684916

    Name:
    US8604061, 370

    Mol. Formula:
    C10H11ClN2OS

    M.W.:
    242.73

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    47.61

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  9. ALA3684915

    Name:
    US8604061, 369

    Mol. Formula:
    C12H13ClN2O

    M.W.:
    236.70

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.86

    DETAILS
  10. ALA3684914

    Name:
    US8604061, 367

    Mol. Formula:
    C9H8BrFN2O

    M.W.:
    259.08

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.84

    DETAILS
  11. ALA3684913

    Name:
    US8604061, 365

    Cas Number:
    1043498-53-8

    Mol. Formula:
    C10H11FN2O

    M.W.:
    194.21

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  12. ALA3684912

    Name:
    US8604061, 364

    Mol. Formula:
    C11H13ClN2O

    M.W.:
    224.69

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.84

    DETAILS
  13. ALA3684911

    Name:
    US8604061, 359

    Mol. Formula:
    C12H13ClN2O

    M.W.:
    236.70

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.86

    DETAILS
  14. ALA3684910

    Name:
    US8604061, 358

    Mol. Formula:
    C13H16ClFN2O

    M.W.:
    270.74

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  15. ALA3684909

    Name:
    US8604061, 357

    Mol. Formula:
    C13H16ClFN2O

    M.W.:
    270.74

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  16. ALA3684908

    Name:
    US8604061, 356

    Mol. Formula:
    C13H16ClFN2O

    M.W.:
    270.74

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  17. ALA3684907

    Name:
    US8604061, 355

    Mol. Formula:
    C13H16ClFN2O

    M.W.:
    270.74

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  18. ALA3684906

    Name:
    US8604061, 354

    Mol. Formula:
    C10H11FN2O2

    M.W.:
    210.21

    Type:
    Small molecule

    AlogP:
    0.92

    Polar Surface Area:
    56.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA3684905

    Name:
    US8604061, 353

    Mol. Formula:
    C10H10F2N2O2

    M.W.:
    228.20

    Type:
    Small molecule

    AlogP:
    1.06

    Polar Surface Area:
    56.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  20. ALA3684904

    Name:
    US8604061, 351

    Mol. Formula:
    C10H11ClN2O

    M.W.:
    210.66

    Type:
    Small molecule

    AlogP:
    2.03

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
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