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  1. ALA4790989

    Name:
    2-methyl-4-(4-(1-methyl-1H-pyrazol-4-yl)quinolin-6
    Show More

    Mol. Formula:
    C18H17N3O

    M.W.:
    291.35

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    50.94

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA4789600

    Name:
    6-(3-hydroxy-3-(thiazol-2-yl)but-1-yn-1-yl)-4-(1H-
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    Mol. Formula:
    C19H14N4O2S

    M.W.:
    362.41

    Type:
    Unknown

    AlogP:
    3.05

    Polar Surface Area:
    94.92

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA3639388

    Name:
    US9034866, 465

    Mol. Formula:
    C20H18FN3O5S

    M.W.:
    431.45

    Type:
    Small molecule

    AlogP:
    0.40

    Polar Surface Area:
    125.98

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA3696732

    Name:
    US9034866, 462

    Mol. Formula:
    C20H18FN3O5S

    M.W.:
    431.45

    Type:
    Small molecule

    AlogP:
    0.40

    Polar Surface Area:
    125.98

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. ALA3696731

    Name:
    US9034866, 460

    Mol. Formula:
    C21H20N4O4

    M.W.:
    392.42

    Type:
    Small molecule

    AlogP:
    0.34

    Polar Surface Area:
    110.68

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA3696730

    Name:
    US9034866, 459

    Mol. Formula:
    C18H16F2N2O4S

    M.W.:
    394.40

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    94.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. ALA3696729

    Name:
    US9034866, 458

    Mol. Formula:
    C20H16F3N3O5S

    M.W.:
    467.43

    Type:
    Small molecule

    AlogP:
    1.00

    Polar Surface Area:
    125.98

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA3696728

    Name:
    US9034866, 456

    Mol. Formula:
    C18H16F2N2O4S

    M.W.:
    394.40

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    94.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  9. ALA3696727

    Name:
    US9034866, 452

    Mol. Formula:
    C20H16F3N3O5S

    M.W.:
    467.43

    Type:
    Small molecule

    AlogP:
    1.00

    Polar Surface Area:
    125.98

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA3696722

    Name:
    US9034866, 442

    Mol. Formula:
    C20H19N3O4S

    M.W.:
    397.46

    Type:
    Small molecule

    AlogP:
    1.35

    Polar Surface Area:
    105.75

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. ALA3696721

    Name:
    US9034866, 441

    Mol. Formula:
    C20H19N3O4S

    M.W.:
    397.46

    Type:
    Small molecule

    AlogP:
    1.35

    Polar Surface Area:
    105.75

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  12. ALA3696720

    Name:
    US9034866, 439

    Mol. Formula:
    C20H18FN3O5S

    M.W.:
    431.45

    Type:
    Small molecule

    AlogP:
    0.59

    Polar Surface Area:
    125.98

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  13. ALA3696719

    Name:
    US9034866, 438

    Mol. Formula:
    C19H15F2N3O4S

    M.W.:
    419.41

    Type:
    Small molecule

    AlogP:
    1.40

    Polar Surface Area:
    105.75

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  14. ALA3696718

    Name:
    US9034866, 437

    Mol. Formula:
    C20H18FN3O5S

    M.W.:
    431.45

    Type:
    Small molecule

    AlogP:
    0.59

    Polar Surface Area:
    125.98

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  15. ALA3696717

    Name:
    US9034866, 435

    Mol. Formula:
    C19H15F2N3O4S

    M.W.:
    419.41

    Type:
    Small molecule

    AlogP:
    1.40

    Polar Surface Area:
    105.75

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  16. ALA3696716

    Name:
    US9034866, 430

    Mol. Formula:
    C20H17FN2O4S

    M.W.:
    400.43

    Type:
    Small molecule

    AlogP:
    1.53

    Polar Surface Area:
    92.86

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA3696714

    Name:
    US9034866, 428

    Mol. Formula:
    C20H19N3O4

    M.W.:
    365.39

    Type:
    Small molecule

    AlogP:
    1.08

    Polar Surface Area:
    102.90

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  18. ALA3696713

    Name:
    US9034866, 427

    Mol. Formula:
    C23H21N5O2

    M.W.:
    399.45

    Type:
    Small molecule

    AlogP:
    2.21

    Polar Surface Area:
    106.92

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  19. ALA3696711

    Name:
    US9034866, 425

    Mol. Formula:
    C20H21N3O2

    M.W.:
    335.41

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    81.14

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA3696709

    Name:
    US9034866, 423

    Mol. Formula:
    C28H25ClN4O4

    M.W.:
    516.99

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    110.68

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
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