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  1. ALA4517144

    Name:
    1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-((3R,
    Show More

    Mol. Formula:
    C27H30O11

    M.W.:
    530.53

    Type:
    Unknown

    AlogP:
    0.84

    Polar Surface Area:
    172.21

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA4778986

    Name:
    Androsamide

    Mol. Formula:
    C29H43N5O6S

    M.W.:
    589.76

    Type:
    Unknown

    AlogP:
    1.54

    Polar Surface Area:
    144.07

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA5282555

    Name:
    N-(4-(7-(1-acetyl-1,2,3,6-tetrahydropyridin-4-yl)i
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    Mol. Formula:
    C25H21N5O5

    M.W.:
    471.47

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    122.99

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA5282111

    Name:
    2,6-bis(4-ethoxy-3-methoxybenzylidene)cyclohexan-1
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    Mol. Formula:
    C26H30O5

    M.W.:
    422.52

    Type:
    ---

    AlogP:
    5.72

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA5282080

    Name:
    Ophiopogonin B

    Mol. Formula:
    C39H62O12

    M.W.:
    722.91

    Type:
    ---

    AlogP:
    2.39

    Polar Surface Area:
    176.76

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. ALA5280649

    Name:
    3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyme
    Show More

    Mol. Formula:
    C45H74O10

    M.W.:
    775.08

    Type:
    ---

    AlogP:
    8.44

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    33

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  7. ALA5280625

    Name:
    N-(4-(7-(azetidin-1-yl)imidazo[1,2-a]pyridin-3-yl)
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    Mol. Formula:
    C21H17N5O4

    M.W.:
    403.40

    Type:
    ---

    AlogP:
    3.96

    Polar Surface Area:
    105.92

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA5279832

    Name:
    2-(palmitoyloxy)-3-(((2R,3R,4S,5R,6R)-3,4,5-trihyd
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    Mol. Formula:
    C43H76O10

    M.W.:
    753.07

    Type:
    ---

    AlogP:
    8.33

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    34

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  9. ALA5278396

    Name:
    N-(4-(imidazo[1,2-a]pyridin-3-yl)phenyl)-5-nitrofu
    Show More

    Mol. Formula:
    C18H12N4O4

    M.W.:
    348.32

    Type:
    ---

    AlogP:
    3.75

    Polar Surface Area:
    102.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA5284687

    Name:
    5-nitro-N-(4-(7-(1,2,3,6-tetrahydropyridin-4-yl)im
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    Mol. Formula:
    C23H19N5O4

    M.W.:
    429.44

    Type:
    ---

    AlogP:
    4.13

    Polar Surface Area:
    114.71

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA5290748

    Name:
    N-(4-(7-bromoimidazo[1,2-a]pyridin-3-yl)phenyl)-5-
    Show More

    Mol. Formula:
    C18H11BrN4O4

    M.W.:
    427.21

    Type:
    ---

    AlogP:
    4.52

    Polar Surface Area:
    102.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA5290172

    Name:
    N-(4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methy
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    Mol. Formula:
    C21H15F3N4O5

    M.W.:
    460.37

    Type:
    ---

    AlogP:
    5.09

    Polar Surface Area:
    111.91

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA5289129

    Name:
    N-(3-fluoro-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl
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    Mol. Formula:
    C19H13FN4O5

    M.W.:
    396.33

    Type:
    ---

    AlogP:
    3.90

    Polar Surface Area:
    111.91

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  14. ALA5288912

    Name:
    2,6-bis(4-(prop-2-yn-1-yloxy)benzylidene)cyclohexa
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    Mol. Formula:
    C26H22O3

    M.W.:
    382.46

    Type:
    ---

    AlogP:
    4.93

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  15. ALA5287932

    Name:
    N-(4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methy
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    Mol. Formula:
    C20H16N4O5

    M.W.:
    392.37

    Type:
    ---

    AlogP:
    4.07

    Polar Surface Area:
    111.91

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4467353

    Name:
    6-methoxy-3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-2
    Show More

    Mol. Formula:
    C18H14N2O4

    M.W.:
    322.32

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    77.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  17. ALA4096955

    Name:
    9-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)-7H-fur
    Show More

    Mol. Formula:
    C21H15N3O4

    M.W.:
    373.37

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    83.29

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA4095538

    Name:
    9-((1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl)meth
    Show More

    Mol. Formula:
    C21H15N3O5

    M.W.:
    389.37

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    92.52

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    71.77

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  20. ALA4102680

    Name:
    1-(4-(trifluoromethyl)phenyl)-4-methyl-1H-1,2,3-tr
    Show More

    Mol. Formula:
    C10H8F3N3

    M.W.:
    227.19

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    30.71

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
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