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  1. ALA4475557

    Name:
    N-{4-[3,5-Bis(trifluoromethyl)phenoxy]phenyl}-2-ch
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    Mol. Formula:
    C21H11ClF7NO2

    M.W.:
    477.76

    Type:
    Unknown

    AlogP:
    7.56

    Polar Surface Area:
    38.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA4745246

    Name:
    5-[(4R,9aS)-4-methyl-8-(5,6,7,8-tetrahydro-2,7-nap
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    Mol. Formula:
    C26H29N7

    M.W.:
    439.57

    Type:
    Unknown

    AlogP:
    2.55

    Polar Surface Area:
    71.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  3. ALA4760220

    Name:
    5-[(4R,9aS)-4-methyl-8-(1,2,3,4-tetrahydroisoquino
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    Mol. Formula:
    C27H30N6

    M.W.:
    438.58

    Type:
    Unknown

    AlogP:
    3.15

    Polar Surface Area:
    58.43

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA4795549

    Name:
    5-[(4S)-8-[5-[(6R)-6-amino-1,4-oxazepan-4-yl]-3-me
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    Mol. Formula:
    C29H36N8O

    M.W.:
    513.67

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    97.78

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. ALA4799678

    Name:
    5-[(4R,9aR)-4-methyl-8-(5,6,7,8-tetrahydro-2,7-nap
    Show More

    Mol. Formula:
    C26H29N7

    M.W.:
    439.57

    Type:
    Unknown

    AlogP:
    2.55

    Polar Surface Area:
    71.32

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. ALA4100834

    Name:
    6-(3-(Piperidin-1-yl)propoxy)-2-(4-(3-(piperidin-1
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    Mol. Formula:
    C29H39N3O3

    M.W.:
    477.65

    Type:
    Small molecule

    AlogP:
    6.00

    Polar Surface Area:
    50.97

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  7. ALA4100657

    Name:
    4-((Dimethylamino)methyl)-N-(3-(6-(3-(pyrrolidin-1
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    Mol. Formula:
    C30H34N4O3

    M.W.:
    498.63

    Type:
    Small molecule

    AlogP:
    5.67

    Polar Surface Area:
    70.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4100138

    Name:
    1-Benzyl-N-(3-(6-(3-(pyrrolidin-1-yl)propoxy)benzo
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    Mol. Formula:
    C32H38N4O2

    M.W.:
    510.68

    Type:
    Small molecule

    AlogP:
    6.44

    Polar Surface Area:
    53.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  9. ALA4099716

    Name:
    6-(3-(1H-imidazol-1yl)propoxy)-2-(4-(3-(1H-imidazo
    Show More

    Mol. Formula:
    C25H25N5O3

    M.W.:
    443.51

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    80.13

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  10. ALA4091970

    Name:
    N-(3-(6-(3-(Pyrrolidin-1-yl)propoxy)benzo[d]oxazol
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    Mol. Formula:
    C27H27N3O3

    M.W.:
    441.53

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    67.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA4088775

    Name:
    6-(3-(Pyrrolidin-1-yl)propoxy)-2-phenylbenzo[d]oxa
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    Mol. Formula:
    C20H22N2O2

    M.W.:
    322.41

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    38.50

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA4088644

    Name:
    N-(3-(6-(3-(pyrrolidin-1-yl)propoxy)benzo[d]oxazol
    Show More

    Mol. Formula:
    C25H32N4O2

    M.W.:
    420.56

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    62.56

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  13. ALA4074072

    Name:
    2-(4-(3-Pyrrolidin-1-yl)propoxyphenyl)benzo[d]oxaz
    Show More

    Mol. Formula:
    C20H22N2O2

    M.W.:
    322.41

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    38.50

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  14. ALA4073879

    Name:
    6-(3-(pyrrolidin-1-yl)propoxy)-2-(3-(1,2,3,6-tetra
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    Mol. Formula:
    C25H29N3O2

    M.W.:
    403.53

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    50.53

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  15. ALA4071152

    Name:
    1-(3-(4-(6-(3-(3-Aminopyrrolidin-1-yl)propoxy)benz
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    Mol. Formula:
    C27H37N5O3

    M.W.:
    479.63

    Type:
    Small molecule

    AlogP:
    3.10

    Polar Surface Area:
    103.01

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4062511

    Name:
    4-Amino-N-(3-(6-(3-pyrrolidin-1-yl)propoxy)benzo[d
    Show More

    Mol. Formula:
    C27H28N4O3

    M.W.:
    456.55

    Type:
    Small molecule

    AlogP:
    5.19

    Polar Surface Area:
    93.62

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA4060540

    Name:
    6-(3-(1H-imidazol-1-yl)propoxy)-2-phenylbenzo[d]ox
    Show More

    Mol. Formula:
    C19H17N3O2

    M.W.:
    319.36

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    53.08

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  18. ALA4084216

    Name:
    (4-Aminomethyl)-N-(3-(6-(3-(pyrrolidin-1-yl)propox
    Show More

    Mol. Formula:
    C28H30N4O3

    M.W.:
    470.57

    Type:
    Small molecule

    AlogP:
    5.07

    Polar Surface Area:
    93.62

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA4082132

    Name:
    1-Methyl-N-(3-(6-(3-(pyrrolidin-1-yl)propoxy)benzo
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    Mol. Formula:
    C26H34N4O2

    M.W.:
    434.58

    Type:
    Small molecule

    AlogP:
    4.87

    Polar Surface Area:
    53.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  20. ALA4081700

    Name:
    6-(3-(Pyrrolidin-1-yl)propoxy)-2-(4-(trifluorometh
    Show More

    Mol. Formula:
    C21H21F3N2O2

    M.W.:
    390.41

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    38.50

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
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