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  1. ALA3687187

    Name:
    US8969335, A3

    Mol. Formula:
    C27H23N5O2

    M.W.:
    449.51

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    92.95

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4547610

    Name:
    3,3,3-Trifluoro-1-(4-{[2-({6-[3-(2-methylpropyl)-1
    Show More

    Mol. Formula:
    C26H29F3N8O2

    M.W.:
    542.57

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    116.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA4549459

    Name:
    3,3,3-Trifluoro-1-{4-[(2-{[6-(3-methyl-1,2,4-oxadi
    Show More

    Mol. Formula:
    C23H23F3N8O2

    M.W.:
    500.49

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    116.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. ALA4553949

    Name:
    3,3,3-Trifluoro-1-{4-[(1R)-1-(2-{[6-(3-methyl-1,2,
    Show More

    Mol. Formula:
    C24H25F3N8O2

    M.W.:
    514.51

    Type:
    Unknown

    AlogP:
    4.22

    Polar Surface Area:
    116.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. ALA4552254

    Name:
    3,3,3-Trifluoro-1-{4-[(2-{[6-(6-methylpyrimidin-4-
    Show More

    Mol. Formula:
    C25H25F3N8O

    M.W.:
    510.52

    Type:
    Unknown

    AlogP:
    4.06

    Polar Surface Area:
    102.93

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA4538751

    Name:
    3,3,3-Trifluoro-1-{4-[(1R)-1-(2-{[6-(6-methylpyrim
    Show More

    Mol. Formula:
    C26H27F3N8O

    M.W.:
    524.55

    Type:
    Unknown

    AlogP:
    4.62

    Polar Surface Area:
    102.93

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. ALA4538591

    Name:
    1-(4-{[2-({6-[5-Chloro-6-(dimethylamino)pyrimidin-
    Show More

    Mol. Formula:
    C26H27ClF3N9O

    M.W.:
    574.01

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    106.17

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    106.17

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA4532014

    Name:
    7-(2-(3-(cyclohexanecarboxamido)propyl)hydrazinyl)
    Show More

    Mol. Formula:
    C30H35N7O3

    M.W.:
    541.66

    Type:
    Unknown

    AlogP:
    4.40

    Polar Surface Area:
    147.05

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  10. ALA4483062

    Name:
    2-Cyclopropyl-1-{4-[(2-{[6-(3-methyl-1,2,4-oxadiaz
    Show More

    Mol. Formula:
    C25H28N8O2

    M.W.:
    472.55

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    116.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA4545291

    Name:
    tert-Butyl 4-[(2-{[6-(3-methyl-1,2,4-oxadiazol-5-y
    Show More

    Mol. Formula:
    C25H30N8O3

    M.W.:
    490.57

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    125.30

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA4543618

    Name:
    3,3,3-Trifluoro-1-{4-[(1R)-1-{2-[(6-{5-[(propan-2-
    Show More

    Mol. Formula:
    C28H31F3N8O2

    M.W.:
    568.60

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    112.16

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  13. ALA4524534

    Name:
    3,3,3-Trifluoro-1-{4-[(2-{[6-(3-methyl-1,2,4-oxadi
    Show More

    Mol. Formula:
    C23H21F3N8O3

    M.W.:
    514.47

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    133.14

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA4521346

    Name:
    2-{4-[(2-{[6-(3-Methyl-1,2,4-oxadiazol-5-yl)-1H-be
    Show More

    Mol. Formula:
    C22H26N8O2

    M.W.:
    434.50

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    119.23

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  15. ALA4594167

    Name:
    3,3,3-Trifluoro-1-(4-{[2-({6-[6-(methylamino)pyrim
    Show More

    Mol. Formula:
    C25H26F3N9O

    M.W.:
    525.54

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    114.96

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA4587843

    Name:
    N-(4-{[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl}
    Show More

    Mol. Formula:
    C22H24F2N8O

    M.W.:
    454.49

    Type:
    Unknown

    AlogP:
    3.44

    Polar Surface Area:
    99.00

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA4582703

    Name:
    N-(3,4-dimethoxy-5-(3-(4-methylpiperazin-1-yl)prop
    Show More

    Mol. Formula:
    C28H35N7O4

    M.W.:
    533.63

    Type:
    Unknown

    AlogP:
    3.60

    Polar Surface Area:
    99.03

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  18. ALA4577511

    Name:
    3,3,3-Trifluoro-1-{4-[(1S)-1-(2-{[6-(3-methyl-1,2,
    Show More

    Mol. Formula:
    C24H25F3N8O2

    M.W.:
    514.51

    Type:
    Unknown

    AlogP:
    4.22

    Polar Surface Area:
    116.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA4575832

    Name:
    6-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-{4-[(piperazin
    Show More

    Mol. Formula:
    C20H22N8O

    M.W.:
    390.45

    Type:
    Unknown

    AlogP:
    2.47

    Polar Surface Area:
    107.79

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA4573638

    Name:
    Cyclobutyl{4-[(2-{[6-(3-methyl-1,2,4-oxadiazol-5-y
    Show More

    Mol. Formula:
    C25H28N8O2

    M.W.:
    472.55

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    116.07

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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