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  1. ALA5281610

    Name:

    Mol. Formula:
    C22H25Cl2N3O2S

    M.W.:
    466.43

    Type:
    ---

    AlogP:
    4.37

    Polar Surface Area:
    43.86

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA5289078

    Name:
    (+)-Pentazocine

    Mol. Formula:
    C19H27NO

    M.W.:
    285.43

    Type:
    ---

    AlogP:
    3.88

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  3. ALA5276627

    Name:

    Mol. Formula:
    C27H33N3O2

    M.W.:
    431.58

    Type:
    ---

    AlogP:
    4.96

    Polar Surface Area:
    36.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA5270567

    Name:

    Mol. Formula:
    C26H31N3O2

    M.W.:
    417.55

    Type:
    ---

    AlogP:
    4.57

    Polar Surface Area:
    36.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA5270179

    Name:

    Mol. Formula:
    C28H35N3O2

    M.W.:
    445.61

    Type:
    ---

    AlogP:
    5.35

    Polar Surface Area:
    36.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  6. ALA5202041

    Name:
    (5aS,8aS)-7-(tetrahydro-2H-pyran-4-yl)-3-(4-(trifl
    Show More

    Mol. Formula:
    C19H21F3N4O2

    M.W.:
    394.40

    Type:
    ---

    AlogP:
    2.90

    Polar Surface Area:
    52.41

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. ALA5190165

    Name:
    (5aS,8aS)-3-(2-chloro-4-(trifluoromethyl)phenyl)-7
    Show More

    Mol. Formula:
    C19H20ClF3N4O2

    M.W.:
    428.84

    Type:
    ---

    AlogP:
    3.55

    Polar Surface Area:
    52.41

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  8. ALA5094130

    Name:
    rac-4-(4-(pyrrolidin-3-yl)phenyl)-7-(4-(trifluorom
    Show More

    Mol. Formula:
    C28H22F3NO2

    M.W.:
    461.48

    Type:
    Unknown

    AlogP:
    6.97

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA5087295

    Name:
    4-(4-((1R,4R,6S)-2-Azabicydo[2.2.1]heptan-6-yl)phe
    Show More

    Mol. Formula:
    C30H24F3NO2

    M.W.:
    487.52

    Type:
    Unknown

    AlogP:
    7.36

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA5085145

    Name:
    4-(4-((1R,2R,4R)-4-Amino-2-(hydroxymethyl)cyclopen
    Show More

    Mol. Formula:
    C30H26F3NO3

    M.W.:
    505.54

    Type:
    Unknown

    AlogP:
    6.70

    Polar Surface Area:
    83.55

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA5083773

    Name:
    4-(4-((1R,4R,6S)-3-oxo-2-azabicydo[2.2.1]heptan-6-
    Show More

    Mol. Formula:
    C30H22F3NO3

    M.W.:
    501.50

    Type:
    Unknown

    AlogP:
    6.88

    Polar Surface Area:
    66.40

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  12. ALA5083619

    Name:
    4-(4-((1S,2S,4S)-4-Amino-2-(hydroxymethyl)cyclopen
    Show More

    Mol. Formula:
    C30H26F3NO3

    M.W.:
    505.54

    Type:
    Unknown

    AlogP:
    6.70

    Polar Surface Area:
    83.55

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA5079102

    Name:
    4-(4-((1R,55,8r)-8-Hydroxy-3-azabicyclo[3.2.1]octa
    Show More

    Mol. Formula:
    C31H26F3NO3

    M.W.:
    517.55

    Type:
    Unknown

    AlogP:
    6.71

    Polar Surface Area:
    69.56

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA5076678

    Name:
    4-(4-((1S,2S,4S)-4-Amino-2-carboxycyclopentyl)phen
    Show More

    Mol. Formula:
    C30H24F3NO4

    M.W.:
    519.52

    Type:
    Unknown

    AlogP:
    6.80

    Polar Surface Area:
    100.62

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA5076127

    Name:
    4-(4-((1R,4R,5R)-3-Oxo-2-azabicyclo[2.2.1]heptan-5
    Show More

    Mol. Formula:
    C30H22F3NO3

    M.W.:
    501.50

    Type:
    Unknown

    AlogP:
    6.88

    Polar Surface Area:
    66.40

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA4854018

    Name:
    2-(dimethylamino)-2-oxoethyl 4-(4-(1-acetylpiperid
    Show More

    Mol. Formula:
    C35H33F3N2O4

    M.W.:
    602.65

    Type:
    Unknown

    AlogP:
    7.16

    Polar Surface Area:
    66.92

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA4574793

    Name:
    4-(4-(5-chloropyridin-2-yl)-1,4-diazepan-1-yl)-1-(
    Show More

    Mol. Formula:
    C20H23ClFN3O

    M.W.:
    375.88

    Type:
    Unknown

    AlogP:
    4.05

    Polar Surface Area:
    36.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  18. ALA4084057

    Name:
    N-(4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-y
    Show More

    Mol. Formula:
    C22H26F3N3O4

    M.W.:
    453.46

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    76.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA4079680

    Name:
    N-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-y
    Show More

    Mol. Formula:
    C20H22F3N3O4

    M.W.:
    425.41

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    76.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA4297605

    Name:
    ROLUPERIDONE

    Cas Number:
    359625-79-9

    Mol. Formula:
    C22H23FN2O2

    M.W.:
    366.44

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    40.62

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
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