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  1. ALA4764656

    Name:
    (R)-4-(5-bromo-4-(1-hydroxypropan-2-ylamino)pyrimi
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    Mol. Formula:
    C13H17BrClN5O3S

    M.W.:
    438.74

    Type:
    Unknown

    AlogP:
    1.42

    Polar Surface Area:
    130.23

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. Type:
    Unknown

    AlogP:
    3.47

    Polar Surface Area:
    111.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA4758499

    Name:
    4-(2,4-difluoro-3'-(hydroxymethyl)-[1,1'-biphenyl]
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    Mol. Formula:
    C24H17F3N4O3

    M.W.:
    466.42

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    107.11

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA4756704

    Name:
    2,4-difluoro-N3-(3-(4-fluorophenylcarbamoyl)-1H-py
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    Mol. Formula:
    C32H31F3N6O4

    M.W.:
    620.63

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    128.45

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  5. ALA4756673

    Name:
    (2R,3R)-3-(2-(4-((S)-cyclopropanesulfonimidoyl)phe
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    Mol. Formula:
    C18H21F3N4O3S

    M.W.:
    430.45

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    108.19

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  6. ALA4783702

    Name:
    4-(3-(6-aminopyridin-3-yl)-2,6-difluorobenzamido)-
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    Mol. Formula:
    C22H15F3N6O2

    M.W.:
    452.40

    Type:
    Unknown

    AlogP:
    3.98

    Polar Surface Area:
    125.79

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA4782409

    Name:
    Voruciclib

    Mol. Formula:
    C22H20ClF3NO8P

    M.W.:
    549.82

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    140.67

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  8. ALA4781622

    Name:
    2,4-difluoro-N3-(3-((4-fluorophenyl)carbamoyl)-1H-
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    Mol. Formula:
    C31H29F3N6O4

    M.W.:
    606.61

    Type:
    Unknown

    AlogP:
    4.45

    Polar Surface Area:
    128.45

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA4751481

    Name:
    4-(2,4-difluoro-3'-hydroxy-[1,1'-biphenyl]-3-carbo
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    Mol. Formula:
    C23H15F3N4O3

    M.W.:
    452.39

    Type:
    Unknown

    AlogP:
    4.70

    Polar Surface Area:
    107.11

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA4795774

    Name:
    2,4-difluoro-N3-(3-(4-fluorophenylcarbamoyl)-1H-py
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    Mol. Formula:
    C31H29F3N6O3

    M.W.:
    590.61

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    119.22

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  11. ALA4794559

    Name:
    4-(2,6-difluoro-3-(6-methoxypyridin-3-yl)benzamido
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    Mol. Formula:
    C23H16F3N5O3

    M.W.:
    467.41

    Type:
    Unknown

    AlogP:
    4.40

    Polar Surface Area:
    109.00

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA4790952

    Name:
    Riviciclib

    Mol. Formula:
    C21H21ClNO8P

    M.W.:
    481.83

    Type:
    Unknown

    AlogP:
    3.07

    Polar Surface Area:
    140.67

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA4789896

    Name:
    2,4-difluoro-N3-(3-((4-fluorophenyl)carbamoyl)-1H-
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    Mol. Formula:
    C31H30F3N7O3

    M.W.:
    605.62

    Type:
    Unknown

    AlogP:
    3.98

    Polar Surface Area:
    122.46

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  14. ALA4787022

    Name:
    4-(2,4-difluorobiphenyl-3-ylcarboxamido)-N-(4-fluo
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    Mol. Formula:
    C23H15F3N4O2

    M.W.:
    436.39

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    86.88

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA4799539

    Name:
    Methyl 2',4'-difluoro-3'-((3-((4-fluorophenyl)carb
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    Mol. Formula:
    C25H17F3N4O4

    M.W.:
    494.43

    Type:
    Unknown

    AlogP:
    4.79

    Polar Surface Area:
    113.18

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA4103249

    Name:
    (R/S)-6-(1-Methylpropoxy)-2-sulfanilylpurine

    Mol. Formula:
    C15H18N6O3S

    M.W.:
    362.42

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    135.88

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  17. ALA4094205

    Name:
    4-((7-(Cyclohexylmethoxy)-3H-imidazo[4,5-b]pyridin
    Show More

    Mol. Formula:
    C19H23N5O3S

    M.W.:
    401.49

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    122.99

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  18. ALA4092981

    Name:
    4-((7-(Cyclohexylmethoxy)-3H-[1,2,3]triazolo[4,5-d
    Show More

    Mol. Formula:
    C17H21N7O3S

    M.W.:
    403.47

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    148.77

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA4086832

    Name:
    2-Sulfanilyl-6-(prop-2-ynyloxy)purine

    Mol. Formula:
    C14H12N6O3S

    M.W.:
    344.36

    Type:
    Small molecule

    AlogP:
    0.76

    Polar Surface Area:
    135.88

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  20. ALA4073211

    Name:
    4-(9H-Purin-2-ylamino)benzenesulfonamide

    Mol. Formula:
    C11H10N6O2S

    M.W.:
    290.31

    Type:
    Small molecule

    AlogP:
    0.74

    Polar Surface Area:
    126.65

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
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