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  1. ALA5285501

    Name:
    4'-acetamido-3-(naphthalen-1-ylmethoxy)-[1,1'-biph
    Show More

    Mol. Formula:
    C26H21NO4

    M.W.:
    411.46

    Type:
    ---

    AlogP:
    5.74

    Polar Surface Area:
    75.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA1160285

    Name:
    Benzoylphenoxy analogue

    Mol. Formula:
    C23H28O9P2

    M.W.:
    510.42

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    139.59

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA1160284

    Name:
    Benzoylphenoxy analogue

    Mol. Formula:
    C18H20O9P2

    M.W.:
    442.30

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    139.59

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA1160278

    Name:
    Benzoylphenoxy analogue

    Mol. Formula:
    C23H28O9P2

    M.W.:
    510.42

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    139.59

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  5. ALA1160277

    Name:
    (2E)-4-(3-benzoylphenoxy)-3-methylbut-2-enyl trihy
    Show More

    Mol. Formula:
    C18H20O9P2

    M.W.:
    442.30

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    139.59

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  6. ALA4546517

    Name:
    (4bR,8aS)-4b-(5-((S)-1-((Hydroxymethyl)amino)ethyl
    Show More

    Mol. Formula:
    C24H35N3O4

    M.W.:
    429.56

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    111.64

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA4546323

    Name:
    (4bR,8aS)-4b-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-
    Show More

    Mol. Formula:
    C27H27BrN2O4

    M.W.:
    523.43

    Type:
    Unknown

    AlogP:
    5.57

    Polar Surface Area:
    90.13

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA4550499

    Name:
    (R)-(2-(3-Fluorophenyl)-1-((6-(p-tolyl)thieno[2,3-
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    Mol. Formula:
    C21H19FN3O3PS

    M.W.:
    443.44

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    95.34

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA4550442

    Name:
    (4bR,8aS)-2-Isopropyl-8,8-dimethyl-5,6,7,8,8a,9-he
    Show More

    Mol. Formula:
    C20H22O5

    M.W.:
    342.39

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    77.51

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA4550027

    Name:
    (R)-2-((6-(3-Chloro-4-methylphenyl)thieno[2,3-d]-p
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    Mol. Formula:
    C22H17ClFN3O2S

    M.W.:
    441.92

    Type:
    Unknown

    AlogP:
    5.57

    Polar Surface Area:
    75.11

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA5276276

    Name:
    6-amino-5-ethoxy-8-(naphthalen-1-yl)quinoline-2-ca
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    Mol. Formula:
    C22H18N2O3

    M.W.:
    358.40

    Type:
    ---

    AlogP:
    4.73

    Polar Surface Area:
    85.44

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  12. ALA4795079

    Name:
    [guanidinomethyl(hydroxy)phosphoryl]methylphosphon
    Show More

    Mol. Formula:
    C3H11N3O5P2

    M.W.:
    231.09

    Type:
    Unknown

    AlogP:
    -1.38

    Polar Surface Area:
    159.23

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  13. ALA4556412

    Name:
    Methyl (4aR,10aS)-5-((tert-Butyldimethylsilyl)oxy)
    Show More

    Mol. Formula:
    C27H42O5Si

    M.W.:
    474.71

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4554538

    Name:
    (4bR,8aS)-2-Isopropyl-8,8-dimethyl-4b-(5-methyl-1,
    Show More

    Mol. Formula:
    C22H30N2O3

    M.W.:
    370.49

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    79.38

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  15. ALA4759133

    Name:
    [acetamidomethyl(hydroxy)phosphoryl]methylphosphon
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    Mol. Formula:
    C4H11NO6P2

    M.W.:
    231.08

    Type:
    Unknown

    AlogP:
    -0.51

    Polar Surface Area:
    123.93

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  16. ALA4538938

    Name:
    Methyl (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-9-meth
    Show More

    Mol. Formula:
    C22H32O5

    M.W.:
    376.49

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA4534214

    Name:
    (S)-(2-(3-Fluorophenyl)-1-((6-(p-tolyl)thieno[2,3-
    Show More

    Mol. Formula:
    C21H19FN3O3PS

    M.W.:
    443.44

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    95.34

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA4532131

    Name:
    Methyl (4aR,10aS)-9-(Butylthio)-5,6-dihydroxy-7-is
    Show More

    Mol. Formula:
    C25H38O4S

    M.W.:
    434.64

    Type:
    Unknown

    AlogP:
    6.44

    Polar Surface Area:
    66.76

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA4531257

    Name:
    Methyl (4aR,10aS)-9-((2-Hydroxyethyl)thio)-7-isopr
    Show More

    Mol. Formula:
    C23H32O5S

    M.W.:
    420.57

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    80.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA4094213

    Name:
    (S)-(3-Phenyl-2-((6-(p-tolyl)thieno[2,3-d]pyrimidi
    Show More

    Mol. Formula:
    C22H21N4O4PS

    M.W.:
    468.48

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    124.44

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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