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  1. ALA4099197

    Name:
    4-([1,1'-biphenyl]-4-ylmethylamino)-7-((1-(2-(quin
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    Mol. Formula:
    C38H38N6O

    M.W.:
    594.76

    Type:
    Small molecule

    AlogP:
    7.66

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  2. ALA4097823

    Name:
    4-(3-phenylpropyl)-7-((1-(2-((2-(trifluoromethyl)q
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    Mol. Formula:
    C35H37F3N6O

    M.W.:
    614.72

    Type:
    Small molecule

    AlogP:
    7.44

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. ALA4097685

    Name:
    4-(2-(4-chlorophenyl)ethylamino)-7-((1-(2-(quinoli
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    Mol. Formula:
    C33H35ClN6O

    M.W.:
    567.14

    Type:
    Small molecule

    AlogP:
    6.69

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA4097289

    Name:
    7-((1-(2-(naphthalen-2-ylamino)ethyl)piperidin-4-y
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    Mol. Formula:
    C35H39N5O

    M.W.:
    545.73

    Type:
    Small molecule

    AlogP:
    7.03

    Polar Surface Area:
    62.31

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  5. ALA4096869

    Name:
    7-((1-(2-((2-methylquinolin-4-yl)amino)ethyl)piper
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    Mol. Formula:
    C35H40N6O

    M.W.:
    560.75

    Type:
    Small molecule

    AlogP:
    6.73

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  6. ALA4096752

    Name:
    4-(2-(4-methoxyphenyl)ethylamino)-7-((1-(2-(quinol
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    Mol. Formula:
    C34H38N6O2

    M.W.:
    562.72

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    84.43

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA4096360

    Name:
    4-((3-phenylpropyl)amino)-7-((1-(2-(quinolin-4-yla
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    Mol. Formula:
    C34H38N6O

    M.W.:
    546.72

    Type:
    Small molecule

    AlogP:
    6.43

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. ALA4095950

    Name:
    4-(3-phenylpropylamino)-7-((1-(2-(pyridin-4-ylamin
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    Mol. Formula:
    C30H36N6O

    M.W.:
    496.66

    Type:
    Small molecule

    AlogP:
    5.27

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  9. ALA4104156

    Name:
    4-((3-phenylpropyl)amino)-7-((1-(2-(methyl(quinoli
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    Mol. Formula:
    C35H40N6O

    M.W.:
    560.75

    Type:
    Small molecule

    AlogP:
    6.45

    Polar Surface Area:
    66.41

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4104103

    Name:
    7-(3-((2-(quinolin-4-ylamino)ethyl)amino)propyloxy
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    Mol. Formula:
    C31H34N6O

    M.W.:
    506.65

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    83.99

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  11. ALA4103702

    Name:
    N-(3-phenylpropyl)-7-((1-(2-(quinolin-5-ylamino)et
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    Mol. Formula:
    C34H38N6O

    M.W.:
    546.72

    Type:
    Small molecule

    AlogP:
    6.43

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  12. ALA4102557

    Name:
    7-(3-((2-(N4-(1-methoxymethyl)cytosinyl)ethyl)amin
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    Mol. Formula:
    C28H35N7O3

    M.W.:
    517.63

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    115.22

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA4101686

    Name:
    4-(3-phenylpropylamino)-7-((1-(quinolin-4-yl)piper
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    Mol. Formula:
    C32H33N5O

    M.W.:
    503.65

    Type:
    Small molecule

    AlogP:
    6.52

    Polar Surface Area:
    63.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  14. ALA4101056

    Name:
    4-amino-7-((1-(2-(quinolin-4-ylamino)ethyl)piperid
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    Mol. Formula:
    C25H28N6O

    M.W.:
    428.54

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    89.19

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA4100095

    Name:
    4-(2-(phenylamino)ethylamino)-7-((1-(2-(quinolin-4
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    Mol. Formula:
    C33H37N7O

    M.W.:
    547.71

    Type:
    Small molecule

    AlogP:
    5.90

    Polar Surface Area:
    87.23

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  16. ALA4093953

    Name:
    N-4-(3-phenylpropylamino)-7-(2-(4-(2-(quinolin-4-y
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    Mol. Formula:
    C34H39N7O

    M.W.:
    561.73

    Type:
    Small molecule

    AlogP:
    5.33

    Polar Surface Area:
    78.44

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  17. ALA4092341

    Name:
    4-(2-(4-benzylpiperazin-1-yl)ethyl)-7-(piperidin-4
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    Mol. Formula:
    C38H46N8O

    M.W.:
    630.84

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    81.68

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  18. ALA4092207

    Name:
    4-((3-phenylpropyl)amino)-7-((1-(2-(6,7-dihydroxyq
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    Mol. Formula:
    C34H38N6O3

    M.W.:
    578.72

    Type:
    Small molecule

    AlogP:
    5.84

    Polar Surface Area:
    115.66

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  19. ALA4091463

    Name:
    N1-(naphthalen-1-yl)-N2-(7-((1-(2-(quinolin-4-ylam
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    Mol. Formula:
    C37H39N7O

    M.W.:
    597.77

    Type:
    Small molecule

    AlogP:
    7.06

    Polar Surface Area:
    87.23

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA4089049

    Name:
    4-(2-(4-aminophenyl)ethylamino)-7-((1-(2-(quinolin
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    Mol. Formula:
    C33H37N7O

    M.W.:
    547.71

    Type:
    Small molecule

    AlogP:
    5.62

    Polar Surface Area:
    101.22

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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