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  1. ALA4741442

    Name:
    (R)-4-(5-bromo-4-(1-hydroxypropan-2-ylamino)pyrimi
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    Cas Number:
    477589-41-6

    Mol. Formula:
    C13H16BrN5O3S

    M.W.:
    402.27

    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. ALA4578788

    Name:
    methyl 4-prop-2-enoyl-2,3-dihydroquinoxaline-1-car
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    Mol. Formula:
    C13H14N2O3

    M.W.:
    246.27

    Type:
    Unknown

    AlogP:
    1.79

    Polar Surface Area:
    49.85

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.71

    DETAILS
  3. ALA4589103

    Name:
    7-cyclopentyl-N,N-dimethyl-2-(4-(piperazin-1-yl)ph
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    Mol. Formula:
    C24H31N7O

    M.W.:
    433.56

    Type:
    Unknown

    AlogP:
    3.40

    Polar Surface Area:
    78.32

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA4584344

    Name:
    4-(5-(imidazo[1,2-b]pyridazin-3-yl)pyrimidin-2-yla
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    Mol. Formula:
    C19H19N7O3S

    M.W.:
    425.47

    Type:
    Unknown

    AlogP:
    1.85

    Polar Surface Area:
    123.40

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  5. ALA4859226

    Name:
    4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-(dim
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    Mol. Formula:
    C22H24N6O

    M.W.:
    388.48

    Type:
    Unknown

    AlogP:
    2.45

    Polar Surface Area:
    93.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4858679

    Name:
    4-(4-(3-aminopyrrolidine-1-carbonyl)phenethylamino
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    Mol. Formula:
    C22H22N6O

    M.W.:
    386.46

    Type:
    Unknown

    AlogP:
    2.33

    Polar Surface Area:
    107.93

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  7. ALA4878874

    Name:
    4-(2-(6-(morpholine-4-carbonyl)naphthalen-2-yl)eth
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    Mol. Formula:
    C26H23N5O2

    M.W.:
    437.50

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    91.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA4875632

    Name:
    4-(4-(4-methylpiperazine-1-carbonyl)phenethylamino
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    Mol. Formula:
    C23H24N6O

    M.W.:
    400.49

    Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    85.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  9. ALA4874663

    Name:
    4-(4-(morpholine-4-carbonyl)phenethylamino)quinazo
    Show More

    Mol. Formula:
    C22H21N5O2

    M.W.:
    387.44

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    91.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA4874631

    Name:
    4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N,N-dimet
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    Mol. Formula:
    C20H19N5O

    M.W.:
    345.41

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    81.91

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  11. ALA4849615

    Name:
    4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-methylb
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    Mol. Formula:
    C19H17N5O

    M.W.:
    331.38

    Type:
    Unknown

    AlogP:
    2.52

    Polar Surface Area:
    90.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  12. ALA4869939

    Name:
    4-(4-(piperidine-1-carbonyl)phenethylamino)quinazo
    Show More

    Mol. Formula:
    C23H23N5O

    M.W.:
    385.47

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    81.91

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  13. ALA4869016

    Name:
    4-(2-(7-(4-methylpiperazine-1-carbonyl)naphthalen-
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    Mol. Formula:
    C27H26N6O

    M.W.:
    450.55

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    85.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  14. ALA4544461

    Name:
    tert-butyl 4-prop-2-enoyl-2,3-dihydroquinoxaline-1
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    Mol. Formula:
    C16H20N2O3

    M.W.:
    288.35

    Type:
    Unknown

    AlogP:
    2.96

    Polar Surface Area:
    49.85

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  15. ALA4649135

    Name:
    2-[(2S)-1-[6-[(6,7-difluoro-1H-benzimidazol-2-yl)m
    Show More

    Mol. Formula:
    C22H26F2N8O

    M.W.:
    456.50

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    107.78

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA4851465

    Name:
    4-(4-chloro-3-(4-methylpiperazine-1-carbonyl)benzy
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    Mol. Formula:
    C22H21ClN6O

    M.W.:
    420.90

    Type:
    Unknown

    AlogP:
    3.15

    Polar Surface Area:
    85.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  17. ALA4867633

    Name:
    4-(2-(7-(morpholine-4-carbonyl)naphthalen-2-yl)eth
    Show More

    Mol. Formula:
    C26H23N5O2

    M.W.:
    437.50

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    91.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA4867033

    Name:
    4-(4-chloro-3-(morpholine-4-carbonyl)benzylamino)q
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    Mol. Formula:
    C21H18ClN5O2

    M.W.:
    407.86

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    91.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  19. ALA4866990

    Name:
    4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-meth
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    Mol. Formula:
    C21H21N5O2

    M.W.:
    375.43

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    99.93

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  20. ALA5266005

    Name:
    (R)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-
    Show More

    Mol. Formula:
    C21H28N6O2

    M.W.:
    396.50

    Type:
    ---

    AlogP:
    2.28

    Polar Surface Area:
    92.63

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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