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  1. ALA1083557

    Name:
    (S)-2,3-Dihydroxypropyladenine

    Mol. Formula:
    C8H11N5O2

    M.W.:
    209.21

    Type:
    Small molecule

    AlogP:
    -1.17

    Polar Surface Area:
    120.94

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  2. ALA4776553

    Name:
    1-((5-Fluoro-3-phenyl-1H-indol-2-yl)carbonyl)-4-pr
    Show More

    Mol. Formula:
    C19H19FN4OS

    M.W.:
    370.45

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA4754810

    Name:
    (E)-1-methyl-N-(4-(2-phenyl-1-(4-(2-(pyrrolidin-1-
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    Mol. Formula:
    C35H43N3O2

    M.W.:
    537.75

    Type:
    Unknown

    AlogP:
    6.81

    Polar Surface Area:
    44.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA4753254

    Name:
    1-((5-Fluoro-3-phenyl-1H-indol-2-yl)carbonyl)-4-ph
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    Mol. Formula:
    C24H21FN4OS

    M.W.:
    432.52

    Type:
    Unknown

    AlogP:
    4.33

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA4796099

    Name:
    N'-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-
    Show More

    Mol. Formula:
    C21H17FN4O2S

    M.W.:
    408.46

    Type:
    Unknown

    AlogP:
    3.74

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  6. ALA4794462

    Name:
    4-Ethyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbon
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    Mol. Formula:
    C18H17FN4OS

    M.W.:
    356.43

    Type:
    Unknown

    AlogP:
    3.10

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. ALA4792170

    Name:
    4-Butyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbon
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    Mol. Formula:
    C20H21FN4OS

    M.W.:
    384.48

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA4785132

    Name:
    4-Allyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbon
    Show More

    Mol. Formula:
    C19H17FN4OS

    M.W.:
    368.44

    Type:
    Unknown

    AlogP:
    3.27

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA4782391

    Name:
    (E)-1-methyl-N-(4-(2-phenyl-1-(4-(2-(pyrrolidin-1-
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    Mol. Formula:
    C34H41N3O2

    M.W.:
    523.72

    Type:
    Unknown

    AlogP:
    6.42

    Polar Surface Area:
    44.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. ALA4763286

    Name:
    5-Fluoro-N'-(3-methyl-4-oxo-1,3-thiazolidin-2-ylid
    Show More

    Mol. Formula:
    C19H15FN4O2S

    M.W.:
    382.42

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  11. ALA4779683

    Name:
    N'-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-5-fl
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    Mol. Formula:
    C25H19FN4O2S

    M.W.:
    458.52

    Type:
    Unknown

    AlogP:
    4.75

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA4759440

    Name:
    1-((5-Fluoro-3-phenyl-1H-indol-2-yl)carbonyl)-4-me
    Show More

    Mol. Formula:
    C17H15FN4OS

    M.W.:
    342.40

    Type:
    Unknown

    AlogP:
    2.71

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA4089605

    Name:
    N-[(Adamant-1-yl)methyl]-3-fluoro-5-(trifluorometh
    Show More

    Mol. Formula:
    C18H22ClF4N

    M.W.:
    363.83

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  14. ALA4787908

    Name:
    5-Fluoro-N'-(4-oxo-3-propyl-1,3-thiazolidin-2-ylid
    Show More

    Mol. Formula:
    C21H19FN4O2S

    M.W.:
    410.47

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  15. ALA4787529

    Name:
    N'-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)-5-flu
    Show More

    Mol. Formula:
    C22H21FN4O2S

    M.W.:
    424.50

    Type:
    Unknown

    AlogP:
    4.35

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  16. ALA4745791

    Name:
    N'-(3-Ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-5-flu
    Show More

    Mol. Formula:
    C20H17FN4O2S

    M.W.:
    396.45

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  17. ALA4743921

    Name:
    4-Benzyl-1-((5-fluoro-3-phenyl-1H-indol-2-yl)carbo
    Show More

    Mol. Formula:
    C23H19FN4OS

    M.W.:
    418.50

    Type:
    Unknown

    AlogP:
    4.28

    Polar Surface Area:
    68.95

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  18. ALA4743117

    Name:
    5-Fluoro-N'-(4-oxo-3-phenethyl-1,3-thiazolidin-2-y
    Show More

    Mol. Formula:
    C26H21FN4O2S

    M.W.:
    472.55

    Type:
    Unknown

    AlogP:
    4.79

    Polar Surface Area:
    77.56

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA4081284

    Name:
    6-(2-(4-methylpiperidin-1-yl)ethyl)-2,3,4,6-tetrah
    Show More

    Mol. Formula:
    C22H28N4

    M.W.:
    348.49

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. ALA4067182

    Name:
    4-(2-(3,4-dihydro-1H-indolo[2,3-b]quinoxalin-6(2H)
    Show More

    Mol. Formula:
    C20H24N4O

    M.W.:
    336.44

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    43.18

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
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