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  1. ALA5179416

    Name:
    (1S,2S,14R,22R)-23-methyl-15-oxa-12,23-diazaheptac
    Show More

    Mol. Formula:
    C24H22N2O3

    M.W.:
    386.45

    Type:
    ---

    AlogP:
    2.86

    Polar Surface Area:
    65.82

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  2. ALA3350131

    Name:
    1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,
    Show More

    Mol. Formula:
    C60H78N12O16

    M.W.:
    1223.35

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA3274696

    Name:
    NA

    Mol. Formula:
    C27H35NO4

    M.W.:
    437.58

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA3274695

    Name:
    NA

    Mol. Formula:
    C25H31NO4

    M.W.:
    409.53

    Type:
    Small molecule

    AlogP:
    2.94

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA3274694

    Name:
    NA

    Mol. Formula:
    C28H37NO4

    M.W.:
    451.61

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA3274693

    Name:
    NA

    Mol. Formula:
    C26H33NO4

    M.W.:
    423.55

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  7. ALA3084322

    Name:
    4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azape
    Show More

    Mol. Formula:
    C24H29NO5

    M.W.:
    411.50

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    79.23

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA2367763

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

    Mol. Formula:
    C20H25NO3

    M.W.:
    327.42

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    49.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA2310843

    Name:
    4-cyclopropylmethyl-14-(2-isothiocyanatoethoxy)-12
    Show More

    Mol. Formula:
    C22H28N2O4S

    M.W.:
    416.54

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    74.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA2309781

    Name:
    Bimorphinan analogue

    Mol. Formula:
    C40H43N3O6

    M.W.:
    661.80

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    121.65

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  11. ALA2112740

    Name:
    17-(cyclopropylmethyl)-6beta-(1-naphthylmethoxy)-4
    Show More

    Mol. Formula:
    C31H33NO4

    M.W.:
    483.61

    Type:
    Small molecule

    AlogP:
    4.69

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA2112736

    Name:
    17-(cyclopropylmethyl)-6beta-(9-anthracylmethoxy)-
    Show More

    Mol. Formula:
    C35H35NO4

    M.W.:
    533.67

    Type:
    Small molecule

    AlogP:
    5.85

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  13. ALA2112732

    Name:
    17-(cyclopropylmethyl)-6beta-(benzyloxy)-4,5alpha-
    Show More

    Mol. Formula:
    C27H31NO4

    M.W.:
    433.55

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  14. ALA2112730

    Name:
    17-(cyclopropylmethyl)-6alpha-(benzyloxy)-4,5alpha
    Show More

    Mol. Formula:
    C33H35NO4

    M.W.:
    509.65

    Type:
    Small molecule

    AlogP:
    5.21

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA2112729

    Name:
    17-(cyclopropylmethyl)-6beta-(2-naphthylmethoxy)-4
    Show More

    Mol. Formula:
    C31H33NO4

    M.W.:
    483.61

    Type:
    Small molecule

    AlogP:
    4.69

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  16. ALA2112088

    Name:
    3-[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl
    Show More

    Mol. Formula:
    C21H24N2O6

    M.W.:
    400.43

    Type:
    Small molecule

    AlogP:
    0.30

    Polar Surface Area:
    119.33

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  17. ALA2112087

    Name:
    3-Amino-N-[9-(ethyl-methyl-amino)-5,9a-dihydroxy-9
    Show More

    Mol. Formula:
    C21H27N3O6

    M.W.:
    417.46

    Type:
    Small molecule

    AlogP:
    -0.54

    Polar Surface Area:
    145.35

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA2112085

    Name:
    {[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl-
    Show More

    Mol. Formula:
    C21H26N2O7

    M.W.:
    418.45

    Type:
    Small molecule

    AlogP:
    -0.24

    Polar Surface Area:
    128.56

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  19. ALA2112083

    Name:
    3-[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl
    Show More

    Mol. Formula:
    C21H24N2O6

    M.W.:
    400.43

    Type:
    Small molecule

    AlogP:
    0.30

    Polar Surface Area:
    119.33

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  20. ALA2112079

    Name:
    N-[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl
    Show More

    Mol. Formula:
    C21H26N2O6

    M.W.:
    402.45

    Type:
    Small molecule

    AlogP:
    0.53

    Polar Surface Area:
    119.33

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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