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  1. ALA5285173

    Name:
    ethyl 6-oxo-4,5,6,11-tetrahydro-2H-pyrrolo[3',4':5,6]azepino[4,3-b]indole-1Show More

    Mol. Formula:
    C17H15N3O3

    M.W.:
    309.33

    Type:
    ---

    AlogP:
    2.58

    Polar Surface Area:
    86.98

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA4779479

    Name:
    N-(2-(difluoromethoxy)benzyl)-N-(2-(methylamino)-2-oxoethyl)-2-(pyrrolidineShow More

    Mol. Formula:
    C20H23F2N5O4

    M.W.:
    435.43

    Type:
    Unknown

    AlogP:
    1.64

    Polar Surface Area:
    107.63

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  3. ALA4591670

    Name:
    1-(3-(tert-Butyl)-1-(pyridin-3-yl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamiShow More

    Mol. Formula:
    C29H31N9O

    M.W.:
    521.63

    Type:
    Unknown

    AlogP:
    5.80

    Polar Surface Area:
    114.06

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA4586372

    Name:
    1-(3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamino)imidaShow More

    Mol. Formula:
    C30H32N8O

    M.W.:
    520.64

    Type:
    Unknown

    AlogP:
    6.41

    Polar Surface Area:
    101.17

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  5. ALA4574606

    Name:
    N-(3-(tert-butyl)-1-phenyl-1H-pyrazol-5-yl)-4-((8-(cyclopropylamino)imidazoShow More

    Mol. Formula:
    C30H31N7O2

    M.W.:
    521.63

    Type:
    Unknown

    AlogP:
    6.14

    Polar Surface Area:
    98.37

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  6. ALA4574265

    Name:
    N-(2-((2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-5-(thiophen-2-yl)pyrimidShow More

    Mol. Formula:
    C28H29N7OS

    M.W.:
    511.66

    Type:
    Unknown

    AlogP:
    5.57

    Polar Surface Area:
    85.42

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  7. ALA4569421

    Name:
    N-(2-((2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-5-((4-phenoxybenzyl)oxy)Show More

    Mol. Formula:
    C37H37N7O3

    M.W.:
    627.75

    Type:
    Unknown

    AlogP:
    7.21

    Polar Surface Area:
    103.88

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. ALA4563120

    Name:
    N-(2-((5-(6-Methoxypyridin-3-yl)-2-((4-(4-methylpiperazin-1-yl)phenyl)aminoShow More

    Mol. Formula:
    C30H32N8O2

    M.W.:
    536.64

    Type:
    Unknown

    AlogP:
    4.91

    Polar Surface Area:
    107.54

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  9. ALA4562024

    Name:
    N-(2-((5-(4-Acetylphenyl)-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimiShow More

    Mol. Formula:
    C32H33N7O2

    M.W.:
    547.66

    Type:
    Unknown

    AlogP:
    5.71

    Polar Surface Area:
    102.49

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4552889

    Name:
    1-(3-(tert-Butyl)-1-(4-fluorophenyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylaShow More

    Mol. Formula:
    C30H31FN8O

    M.W.:
    538.63

    Type:
    Unknown

    AlogP:
    6.55

    Polar Surface Area:
    101.17

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  11. ALA4540491

    Name:
    1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamino)imShow More

    Mol. Formula:
    C31H34N8O

    M.W.:
    534.67

    Type:
    Unknown

    AlogP:
    6.71

    Polar Surface Area:
    101.17

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA4538743

    Name:
    N-(2-((5-(Furan-3-yl)-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-Show More

    Mol. Formula:
    C28H29N7O2

    M.W.:
    495.59

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    98.56

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA4535889

    Name:
    1-(3-(tert-Butyl)-1-(3-cyanophenyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamShow More

    Mol. Formula:
    C31H31N9O

    M.W.:
    545.65

    Type:
    Unknown

    AlogP:
    6.28

    Polar Surface Area:
    124.96

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  14. ALA4529499

    Name:
    1-(3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(4-((8-(cyclopropylamino)imidShow More

    Mol. Formula:
    C30H32N8O2

    M.W.:
    536.64

    Type:
    Unknown

    AlogP:
    6.53

    Polar Surface Area:
    110.40

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA4526846

    Name:
    1-(3-(tert-Butyl)-1-(3-cyanophenyl)-1H-pyrazol-5-yl)-3-(4-((8-(cyclopropylaShow More

    Mol. Formula:
    C31H31N9O2

    M.W.:
    561.65

    Type:
    Unknown

    AlogP:
    6.40

    Polar Surface Area:
    134.19

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  16. ALA4518128

    Name:
    1-(3-(tert-Butyl)-1-(3-fluorophenyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylaShow More

    Mol. Formula:
    C30H31FN8O

    M.W.:
    538.63

    Type:
    Unknown

    AlogP:
    6.55

    Polar Surface Area:
    101.17

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4475871

    Name:
    1-(3-(tert-Butyl)-1-(3-chlorophenyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylaShow More

    Mol. Formula:
    C29H30ClN9O

    M.W.:
    556.07

    Type:
    Unknown

    AlogP:
    6.45

    Polar Surface Area:
    114.06

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  18. ALA4475202

    Name:
    1-(3-(tert-Butyl)-1-(3-cyanophenyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamShow More

    Mol. Formula:
    C30H30N10O

    M.W.:
    546.64

    Type:
    Unknown

    AlogP:
    5.67

    Polar Surface Area:
    137.85

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  19. ALA4471413

    Name:
    1-(3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamino)-[1,2Show More

    Mol. Formula:
    C29H31N9O

    M.W.:
    521.63

    Type:
    Unknown

    AlogP:
    5.80

    Polar Surface Area:
    114.06

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA4470058

    Name:
    1-(3-(tert-Butyl)-1-(4-cyanophenyl)-1H-pyrazol-5-yl)-3-(4-(8-(cyclopropylamShow More

    Mol. Formula:
    C31H31N9O

    M.W.:
    545.65

    Type:
    Unknown

    AlogP:
    6.28

    Polar Surface Area:
    124.96

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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