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  1. ALA1160253

    Name:
    4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1
    Show More

    Mol. Formula:
    C24H29ClFNO4

    M.W.:
    449.95

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    40.54

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA1159833

    Name:
    1-(6,11-Diethyl-8-hydroxy-1,2,5,6-tetrahydro-4H-2,
    Show More

    Mol. Formula:
    C22H34N2O2

    M.W.:
    358.53

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    66.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  3. ALA3275472

    Name:
    N-Phenethylnormorphine

    Mol. Formula:
    C24H25NO3

    M.W.:
    375.47

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  4. ALA3275471

    Name:
    N-n-Propylnormorphine

    Cas Number:
    41590-60-7

    Mol. Formula:
    C19H23NO3

    M.W.:
    313.40

    Type:
    Small molecule

    AlogP:
    1.98

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  5. ALA3275470

    Name:
    N-(alpha-methylphenethyl)normorphine

    Mol. Formula:
    C25H27NO3

    M.W.:
    389.50

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  6. ALA3275469

    Name:
    NA

    Mol. Formula:
    C23H29NO3

    M.W.:
    367.49

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA3275468

    Name:
    NA

    Mol. Formula:
    C22H25NO3

    M.W.:
    351.45

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA3272387

    Name:
    NA

    Mol. Formula:
    C22H27NO3

    M.W.:
    353.46

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  9. ALA3275467

    Name:
    NA

    Mol. Formula:
    C21H25NO3

    M.W.:
    339.44

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA3275466

    Name:
    NA

    Mol. Formula:
    C21H27NO3

    M.W.:
    341.45

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  11. ALA3275465

    Name:
    NA

    Mol. Formula:
    C21H27NO3

    M.W.:
    341.45

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  12. ALA3275464

    Name:
    (S)-N-(alpha-methylallyl)-normorphine

    Mol. Formula:
    C20H23NO3

    M.W.:
    325.41

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  13. ALA3275463

    Name:
    (R)-N-(alpha-methylallyl)-normorphine

    Mol. Formula:
    C20H23NO3

    M.W.:
    325.41

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  14. ALA3275462

    Name:
    (R)-N-sec-butyl-normorphine

    Mol. Formula:
    C20H25NO3

    M.W.:
    327.42

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  15. ALA3275461

    Name:
    (S)-N-sec-butyl-normorphine

    Mol. Formula:
    C20H25NO3

    M.W.:
    327.42

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  16. ALA3275460

    Name:
    N-(alpha,alpha-dimethylphenethyl)-normorphine

    Mol. Formula:
    C26H29NO3

    M.W.:
    403.52

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  17. ALA3275459

    Name:
    N-(alpha,alpha-dimethylallyl)-normorphine

    Mol. Formula:
    C21H25NO3

    M.W.:
    339.44

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  18. ALA3275458

    Name:
    N-tert-amyl-normorphine

    Mol. Formula:
    C21H27NO3

    M.W.:
    341.45

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA3274992

    Name:
    1-methylpiperidin-4-yl benzo[d][1,3]dioxole-5-carb
    Show More

    Cas Number:
    64219-74-5

    Mol. Formula:
    C14H18ClNO4

    M.W.:
    299.75

    Type:
    Small molecule

    AlogP:
    1.67

    Polar Surface Area:
    48.00

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  20. ALA3250508

    Name:
    (S)-2-((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,3
    Show More

    Mol. Formula:
    C160H255N39O47

    M.W.:
    3477.03

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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