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  1. ALA3695593

    Name:
    US8933228, 21

    Mol. Formula:
    C30H27N7O3S

    M.W.:
    565.66

    Type:
    Small molecule

    AlogP:
    6.76

    Polar Surface Area:
    126.82

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA3695591

    Name:
    US8933228, 19

    Mol. Formula:
    C28H25Cl2N7O4

    M.W.:
    594.46

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    147.05

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA3695589

    Name:
    US8933228, 17

    Mol. Formula:
    C32H29N7O4

    M.W.:
    575.63

    Type:
    Small molecule

    AlogP:
    5.88

    Polar Surface Area:
    147.05

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  4. ALA3695586

    Name:
    US8933228, 13

    Mol. Formula:
    C28H27Cl2N7O4

    M.W.:
    596.48

    Type:
    Small molecule

    AlogP:
    6.50

    Polar Surface Area:
    128.09

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA3695580

    Name:
    US8933228, 32

    Mol. Formula:
    C31H25Cl2N7O3

    M.W.:
    614.49

    Type:
    Small molecule

    AlogP:
    7.70

    Polar Surface Area:
    126.82

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA3695570

    Name:
    US8933228, 4

    Mol. Formula:
    C29H26N8O3

    M.W.:
    534.58

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    142.61

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  7. ALA3780667

    Name:
    N-(4-((4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-y
    Show More

    Mol. Formula:
    C37H41N7O4

    M.W.:
    647.78

    Type:
    Small molecule

    AlogP:
    6.52

    Polar Surface Area:
    122.64

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. ALA3781244

    Name:
    N-(4-((4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-y
    Show More

    Mol. Formula:
    C35H39N7O3

    M.W.:
    605.74

    Type:
    Small molecule

    AlogP:
    6.75

    Polar Surface Area:
    113.41

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. ALA3781473

    Name:
    N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
    Show More

    Mol. Formula:
    C39H38N6O3

    M.W.:
    638.77

    Type:
    Small molecule

    AlogP:
    8.43

    Polar Surface Area:
    110.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  10. ALA3780519

    Name:
    N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
    Show More

    Mol. Formula:
    C38H36N6O3

    M.W.:
    624.75

    Type:
    Small molecule

    AlogP:
    8.50

    Polar Surface Area:
    110.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA3781687

    Name:
    1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(
    Show More

    Mol. Formula:
    C34H37N7O3

    M.W.:
    591.72

    Type:
    Small molecule

    AlogP:
    7.04

    Polar Surface Area:
    122.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  12. ALA3781102

    Name:
    N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
    Show More

    Mol. Formula:
    C33H34N6O3

    M.W.:
    562.67

    Type:
    Small molecule

    AlogP:
    7.21

    Polar Surface Area:
    110.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA3780714

    Name:
    N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo
    Show More

    Mol. Formula:
    C32H34N6O4S

    M.W.:
    598.73

    Type:
    Small molecule

    AlogP:
    6.62

    Polar Surface Area:
    127.24

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  14. ALA3781532

    Name:
    Methyl (4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-p
    Show More

    Mol. Formula:
    C34H36N6O4

    M.W.:
    592.70

    Type:
    Small molecule

    AlogP:
    7.47

    Polar Surface Area:
    119.40

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  15. ALA3781413

    Name:
    4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5
    Show More

    Mol. Formula:
    C38H43N7O4

    M.W.:
    661.81

    Type:
    Small molecule

    AlogP:
    6.31

    Polar Surface Area:
    122.64

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  16. ALA3780410

    Name:
    4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5
    Show More

    Mol. Formula:
    C35H38N6O4

    M.W.:
    606.73

    Type:
    Small molecule

    AlogP:
    6.63

    Polar Surface Area:
    119.40

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  17. ALA3782009

    Name:
    N-(1-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyra
    Show More

    Mol. Formula:
    C32H35N7O3

    M.W.:
    565.68

    Type:
    Small molecule

    AlogP:
    6.51

    Polar Surface Area:
    115.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA3780629

    Name:
    4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol
    Show More

    Mol. Formula:
    C36H40N6O4

    M.W.:
    620.75

    Type:
    Small molecule

    AlogP:
    6.67

    Polar Surface Area:
    119.40

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  19. ALA3780089

    Name:
    4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol
    Show More

    Mol. Formula:
    C34H36N6O3

    M.W.:
    576.70

    Type:
    Small molecule

    AlogP:
    6.65

    Polar Surface Area:
    110.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA3780154

    Name:
    N-(4-(2-(4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5
    Show More

    Mol. Formula:
    C35H38N6O4

    M.W.:
    606.73

    Type:
    Small molecule

    AlogP:
    6.88

    Polar Surface Area:
    119.40

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
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