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  1. ALA4791259

    Name:
    1-(8-isopropyl-5-methyl-2-((5,6,7,8-tetrahydro-1,6
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    Mol. Formula:
    C23H25N7O

    M.W.:
    415.50

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    97.10

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  2. Type:
    Unknown

    AlogP:
    6.37

    Polar Surface Area:
    104.51

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. ALA4546255

    Name:
    5-fluoro-4-((R)-4-methyl-5,6,7,8-tetrahydro-4H-pyr
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    Mol. Formula:
    C22H26FN7O

    M.W.:
    423.50

    Type:
    Unknown

    AlogP:
    3.74

    Polar Surface Area:
    80.99

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  4. ALA4550287

    Name:
    N-(4-(1-(1-cyclopropylethyl)-4-fluoro-2-methyl-1H-
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    Mol. Formula:
    C29H34F2N8

    M.W.:
    532.64

    Type:
    Unknown

    AlogP:
    5.11

    Polar Surface Area:
    75.00

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA4549013

    Name:
    N-(4-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1
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    Mol. Formula:
    C33H28F5N7O2

    M.W.:
    649.62

    Type:
    Unknown

    AlogP:
    7.78

    Polar Surface Area:
    113.83

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  6. ALA4777368

    Name:
    8-isopropyl-5-methyl-2((4-(piperazin-1-yl)phenyl)a
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    Mol. Formula:
    C24H26N8

    M.W.:
    426.53

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    94.17

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  7. ALA4777250

    Name:
    2-((4-chlorophenyl)amino)-5,8-dimethylimidazo[1',2
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    Mol. Formula:
    C18H13ClN6

    M.W.:
    348.80

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA4525034

    Name:
    diethyl(2-(2-((5-fluoro-4-(4-fluoro-1-isopropyl-2-
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    Mol. Formula:
    C30H39F2N8O3P

    M.W.:
    628.67

    Type:
    Unknown

    AlogP:
    6.27

    Polar Surface Area:
    110.53

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA4556152

    Name:
    7-Cyclopentyl-2-((2-hydroxy-4-((5-isothiocyanatope
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    Mol. Formula:
    C27H33N7O3S

    M.W.:
    535.67

    Type:
    Unknown

    AlogP:
    4.70

    Polar Surface Area:
    124.74

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  10. ALA4752291

    Name:
    8-[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]-2-[(1-m
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    Mol. Formula:
    C19H27N5O4S

    M.W.:
    421.52

    Type:
    Unknown

    AlogP:
    1.10

    Polar Surface Area:
    117.42

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA4794123

    Name:
    1-(8-isopropyl-5-methyl-2-(6-(2-(methylamino)ethyl
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    Mol. Formula:
    C26H32N8O

    M.W.:
    472.60

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    100.34

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA4793422

    Name:
    5,8-dimethyl-2-(phenylamino)imidazo[1',2':1,6]pyri
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    Mol. Formula:
    C18H14N6

    M.W.:
    314.35

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA4792839

    Name:
    1-(5-methyl-2((4-(piperazin-1-yl)phenyl)amino)-8-(
    Show More

    Mol. Formula:
    C27H30N8O2

    M.W.:
    498.59

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    107.76

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  14. ALA4792101

    Name:
    1-(8-isopropyl-5-methyl-2-(5-(piperazin-1-ylmethyl
    Show More

    Mol. Formula:
    C25H30N8O

    M.W.:
    458.57

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    100.34

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  15. ALA4556974

    Name:
    7-Cyclopentyl-2-((4-(N-(5-isothiocyanatopentyl)sul
    Show More

    Mol. Formula:
    C26H33N7O3S2

    M.W.:
    555.73

    Type:
    Unknown

    AlogP:
    4.54

    Polar Surface Area:
    121.58

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  16. ALA4797327

    Name:
    5,8-dimethyl-2((4-(piperazin-1-yl)phenyl)amino)imi
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    Mol. Formula:
    C22H22N8

    M.W.:
    398.47

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    94.17

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA4796501

    Name:
    6-chloro-8-cyclopentyl-2-[(1-methylsulfonyl-4-pipe
    Show More

    Mol. Formula:
    C18H24ClN5O3S

    M.W.:
    425.94

    Type:
    Unknown

    AlogP:
    2.40

    Polar Surface Area:
    97.19

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  18. ALA4554252

    Name:
    7-Cyclopentyl-2-((2-(8-isothiocyanatooctanamido)ph
    Show More

    Mol. Formula:
    C29H37N7O2S

    M.W.:
    547.73

    Type:
    Unknown

    AlogP:
    6.37

    Polar Surface Area:
    104.51

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA4554083

    Name:
    7-Cyclopentyl-2-((5-((6-isothiocyanatohexyl)carbam
    Show More

    Mol. Formula:
    C27H34N8O2S

    M.W.:
    534.69

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    117.40

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  20. ALA4551412

    Name:
    7-Cyclopentyl-2-((2-hydroxy-4-((6-isothiocyanatohe
    Show More

    Mol. Formula:
    C28H35N7O3S

    M.W.:
    549.70

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    124.74

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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