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  1. ALA3144363

    Name:
    2-[3-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-2-(2-
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    Mol. Formula:
    C42H60Cl2N6O7

    M.W.:
    831.88

    Type:
    Protein

    AlogP:
    4.39

    Polar Surface Area:
    180.41

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  2. ALA2310924

    Name:
    4,5alpha-Epoxy-3,6beta, 14-trihydroxy-6alpha-(2-ca
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    Mol. Formula:
    C21H23NO5

    M.W.:
    369.42

    Type:
    Small molecule

    AlogP:
    1.42

    Polar Surface Area:
    79.23

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  3. ALA1908323

    Name:
    4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.0
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    Cas Number:
    524713-56-2

    Mol. Formula:
    C18H25NO

    M.W.:
    271.40

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  4. ALA607393

    Name:
    22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0
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    Mol. Formula:
    C30H28N2O3

    M.W.:
    464.57

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    68.72

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA607339

    Name:
    22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0
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    Mol. Formula:
    C30H28N2O2

    M.W.:
    448.57

    Type:
    Small molecule

    AlogP:
    5.29

    Polar Surface Area:
    48.49

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  6. ALA606884

    Name:
    11-ethyl-12,17-dimethyl-17-azatetracyclo[7.5.3.01,
    Show More

    Mol. Formula:
    C21H31NO

    M.W.:
    313.49

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  7. ALA606883

    Name:
    17-cyclobutylmethyl-11-ethyl-12-methyl-17-azatetra
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    Mol. Formula:
    C24H35NO

    M.W.:
    353.55

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  8. ALA606882

    Name:
    11,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]h
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    Mol. Formula:
    C18H25NO

    M.W.:
    271.40

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  9. ALA606833

    Name:
    4-methoxy-11,12,17-trimethyl-17-azatetracyclo[7.5.
    Show More

    Mol. Formula:
    C20H29NO

    M.W.:
    299.46

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA606832

    Name:
    4-cyclobutylmethyl-10-methoxy-12-oxa-4-azapentacyc
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    Mol. Formula:
    C22H29NO2

    M.W.:
    339.48

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    21.70

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  11. ALA606831

    Name:
    12,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]h
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    Mol. Formula:
    C18H25NO

    M.W.:
    271.40

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  12. ALA606830

    Name:
    17-cyclobutylmethyl-11-ethyl-12-methyl-17-azatetra
    Show More

    Mol. Formula:
    C25H37NO

    M.W.:
    367.58

    Type:
    Small molecule

    AlogP:
    5.44

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA606829

    Name:
    10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0
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    Mol. Formula:
    C18H23NO2

    M.W.:
    285.39

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    21.70

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  14. ALA606780

    Name:
    4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.
    Show More

    Mol. Formula:
    C17H21NO2

    M.W.:
    271.36

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  15. ALA606779

    Name:
    17-cyclobutylmethyl-11-ethyl-17-azatetracyclo[7.5.
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    Mol. Formula:
    C24H35NO

    M.W.:
    353.55

    Type:
    Small molecule

    AlogP:
    5.19

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  16. ALA606778

    Name:
    17-cyclobutylmethyl-4-hydroxy-17-azatetracyclo[7.5
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    Mol. Formula:
    C21H27NO2

    M.W.:
    325.45

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    40.54

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  17. ALA606777

    Name:
    17-cyclobutylmethyl-4-methoxy-12-methyl-17-azatetr
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    Mol. Formula:
    C23H31NO2

    M.W.:
    353.51

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  18. ALA606776

    Name:
    4-cyclobutylmethyl-16-methyl-12-oxa-4-azapentacycl
    Show More

    Mol. Formula:
    C22H29NO2

    M.W.:
    339.48

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  19. ALA606725

    Name:
    10-methoxy-4,16-dimethyl-12-oxa-4-azapentacyclo[9.
    Show More

    Mol. Formula:
    C19H25NO2

    M.W.:
    299.41

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    21.70

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA606724

    Name:
    11,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]h
    Show More

    Mol. Formula:
    C19H27NO

    M.W.:
    285.43

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
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