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  1. ALA4102228

    Name:
    3-(2-chloro-7-((dimethylamino)methyl)naphthalen-1-
    Show More

    Mol. Formula:
    C25H20ClN3O2

    M.W.:
    429.91

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    65.20

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA4101316

    Name:
    3-(2-chloro-7-((2-methoxyethylamino)methyl)naphtha
    Show More

    Mol. Formula:
    C27H24ClN3O3

    M.W.:
    473.96

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    72.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA4100747

    Name:
    N-((7-chloro-8-(4-(1-methyl-1H-indol-3-yl)-2,5-dio
    Show More

    Mol. Formula:
    C27H22ClN3O3

    M.W.:
    471.94

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    71.41

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA4099609

    Name:
    3-(7-(aminomethyl)-2-methylnaphthalen-1-yl)-4-(1H-
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    Mol. Formula:
    C24H19N3O2

    M.W.:
    381.44

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    87.98

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA4089217

    Name:
    3-(7-(azetidin-1-ylmethyl)-2-chloronaphthalen-1-yl
    Show More

    Mol. Formula:
    C27H22ClN3O2

    M.W.:
    455.95

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    54.34

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  6. ALA4085837

    Name:
    3-(2-chloro-6-((dimethylamino)methyl)naphthalen-1-
    Show More

    Mol. Formula:
    C25H20ClN3O2

    M.W.:
    429.91

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    65.20

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA4089665

    Name:
    3-(7-(aminomethyl)-2-chloronaphthalen-1-yl)-4-(1-m
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    Mol. Formula:
    C24H18ClN3O2

    M.W.:
    415.88

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    77.12

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. ALA3987185

    Name:
    US9452998, 89

    Mol. Formula:
    C24H27F3N8O3

    M.W.:
    532.53

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    154.40

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA3984070

    Name:
    US9452998, 7

    Mol. Formula:
    C24H27F3N10O2

    M.W.:
    544.54

    Type:
    Small molecule

    AlogP:
    1.95

    Polar Surface Area:
    161.30

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  10. ALA3984009

    Name:
    US9452998, 46

    Mol. Formula:
    C28H32N10O2

    M.W.:
    540.63

    Type:
    Small molecule

    AlogP:
    2.47

    Polar Surface Area:
    161.30

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  11. ALA4073977

    Name:
    3-(2-chloro-7-((cyclopropyl(methyl)amino)methyl)na
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    Mol. Formula:
    C28H24ClN3O2

    M.W.:
    469.97

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    54.34

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA4072879

    Name:
    3-(2-chloro-7-((methylamino)methyl)naphthalen-1-yl
    Show More

    Mol. Formula:
    C25H20ClN3O2

    M.W.:
    429.91

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    63.13

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  13. ALA4072709

    Name:
    3-(6-(aminomethyl)naphthalen-1-yl)-4-(1-methyl-1H-
    Show More

    Mol. Formula:
    C24H19N3O2

    M.W.:
    381.44

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    77.12

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA4061321

    Name:
    3-(7-(aminomethyl)naphthalen-1-yl)-4-(1H-indol-3-y
    Show More

    Mol. Formula:
    C23H17N3O2

    M.W.:
    367.41

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    87.98

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA4083319

    Name:
    3-(2-chloro-7-((isopropylamino)methyl)naphthalen-1
    Show More

    Mol. Formula:
    C27H24ClN3O2

    M.W.:
    457.96

    Type:
    Small molecule

    AlogP:
    5.05

    Polar Surface Area:
    63.13

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  16. ALA4083182

    Name:
    3-(7-(aminomethyl)naphthalen-1-yl)-4-(1-methyl-1H-
    Show More

    Mol. Formula:
    C24H19N3O2

    M.W.:
    381.44

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    77.12

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  17. ALA4078759

    Name:
    3-(7-(aminomethyl)-2-methylnaphthalen-1-yl)-4-(1-m
    Show More

    Mol. Formula:
    C25H21N3O2

    M.W.:
    395.46

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    77.12

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  18. ALA4077967

    Name:
    3-(2-chloro-7-((dimethylamino)methyl)naphthalen-1-
    Show More

    Cas Number:
    860468-10-6

    Mol. Formula:
    C26H22ClN3O2

    M.W.:
    443.93

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    54.34

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA4068028

    Name:
    3-(2-chloro-7-((4-methylpiperazin-1-yl)methyl)naph
    Show More

    Mol. Formula:
    C29H27ClN4O2

    M.W.:
    499.01

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    57.58

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  20. ALA4064291

    Name:
    3-(2-chloro-6-((dimethylamino)methyl)naphthalen-1-
    Show More

    Mol. Formula:
    C26H22ClN3O2

    M.W.:
    443.93

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    54.34

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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