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  1. FK-788

    Name:
    {(R)-6-[(Diphenylcarbamoyloxy)-methyl]-6-hydroxy-5,6,7,8-tetrahydro-naphthaShow More

    Mol. Formula:
    C26H25NO6

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    96.30

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA195456

    Name:
    {(S)-6-[(Diphenylcarbamoyloxy)-methyl]-5,6-dihydroxy-5,6,7,8-tetrahydro-napShow More

    Mol. Formula:
    C26H25NO7

    M.W.:
    463.49

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    116.53

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  3. ALA196935

    Name:
    {6-[(Diphenylcarbamoyloxy)-methyl]-7,8-dihydro-naphthalen-1-yloxy}-acetic aShow More

    Mol. Formula:
    C26H23NO5

    M.W.:
    429.47

    Type:
    Small molecule

    AlogP:
    5.45

    Polar Surface Area:
    76.07

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  4. ALA196194

    Name:
    {(R)-6-[(Diphenylcarbamoyloxy)-methyl]-5-hydroxy-5,6,7,8-tetrahydro-naphthaShow More

    Mol. Formula:
    C26H25NO6

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    96.30

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  5. ALA425916

    Name:
    {(S)-6-[(Diphenylcarbamoyloxy)-methyl]-5,6-dihydroxy-5,6,7,8-tetrahydro-napShow More

    Mol. Formula:
    C26H25NO7

    M.W.:
    463.49

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    116.53

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  6. ALA426829

    Name:
    {(S)-6-[(Diphenylcarbamoyloxy)-methyl]-6-hydroxy-5,6,7,8-tetrahydro-naphthaShow More

    Mol. Formula:
    C26H25NO6

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    96.30

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  7. ALA197319

    Name:
    {6-[(Diphenylcarbamoyloxy)-methyl]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-aShow More

    Mol. Formula:
    C26H25NO5

    M.W.:
    431.49

    Type:
    Small molecule

    AlogP:
    5.23

    Polar Surface Area:
    76.07

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA371399

    Name:
    {(R)-6-[(Diphenylcarbamoyloxy)-methyl]-5-hydroxy-5,6,7,8-tetrahydro-naphthaShow More

    Mol. Formula:
    C26H25NO6

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    96.30

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA193700

    Name:
    (6aR,12aR)-2,3-Dimethoxy-6,12a-dimethyl-6a,12a-dihydro-6H-8,10-dioxa-6-aza-Show More

    Mol. Formula:
    C21H19NO6

    M.W.:
    381.38

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    74.30

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  10. ALA363230

    Name:
    4-[(2S,3S)-4-(3-Hydroxy-4-methoxy-phenyl)-2,3-dimethyl-butyl]-6-methoxy-benShow More

    Mol. Formula:
    C20H26O5

    M.W.:
    346.42

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    79.15

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. ALA185692

    Name:
    4-{(1S,2S)-1-Hydroxy-2-[2-methoxy-4-((E)-propenyl)-phenoxy]-propyl}-2-methoShow More

    Mol. Formula:
    C20H24O5

    M.W.:
    344.41

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    68.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  12. ALA433982

    Name:
    1,4-bis(benzimidazole-2-ylmethyl)-1,4,7-triazacyclonone

    Mol. Formula:
    C22H27N7

    M.W.:
    389.51

    Type:
    Small molecule

    AlogP:
    2.35

    Polar Surface Area:
    75.87

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  13. ALA182364

    Name:
    1-(benzimidazole-2-ylmethyl)-1,4,7-triazacyclononane

    Mol. Formula:
    C14H21N5

    M.W.:
    259.36

    Type:
    Small molecule

    AlogP:
    0.56

    Polar Surface Area:
    55.98

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  14. ALA183711

    Name:
    N,N0-butylene bis-(2-acetylpyridine iminato) copper(II)

    Mol. Formula:
    C18H22CuN4+4

    M.W.:
    357.95

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA183865

    Name:
    N,N0-propylene bis-(2-acetylpyridine iminato) copper(II)

    Mol. Formula:
    C17H20CuN4+4

    M.W.:
    343.92

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA183284

    Name:
    N,N0-ethylene bis-(2-acetylpyridine iminato) copper(II)

    Mol. Formula:
    C16H18CuN4+4

    M.W.:
    329.89

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA182742

    Name:
    Cu-clioquinol

    Mol. Formula:
    C18H10Cl2CuI2N2O2

    M.W.:
    674.55

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA179171

    Name:
    6,7-Dichloro-2-isopropyl-5-[3-(pyridin-4-ylsulfanylmethyl)-benzyloxy]-indanShow More

    Mol. Formula:
    C25H23Cl2NO2S

    M.W.:
    472.44

    Type:
    Small molecule

    AlogP:
    7.27

    Polar Surface Area:
    39.19

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA79445

    Name:
    N-(9-Ethoxy-1,8-dihydroxy-12a-methyl-1,2,3,3a,3b,4,5,6,10b,11,12,12a-dodecaShow More

    Mol. Formula:
    C23H33NO4

    M.W.:
    387.52

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    78.79

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  20. ALA432546

    Name:
    9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-Show More

    Mol. Formula:
    C21H28O4

    M.W.:
    344.45

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
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