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  1. ALA1096312

    Name:
    (S)-6-amino-N-((S)-36-amino-1-(4-(3-((5-((5-tert-b
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    Mol. Formula:
    C85H130N16O14S

    M.W.:
    1632.14

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1077255

    Name:
    N-(4-(3-((5-((5-tert-butyloxazol-4-yl)methylene)-3
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    Mol. Formula:
    C49H62N8O8S

    M.W.:
    923.15

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    237.25

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  3. ALA5197695

    Name:
    (8S,9S,13S,14S)-17-(5-chloropyridin-3-yl)-2-methox
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    Mol. Formula:
    C24H27ClN2O4S

    M.W.:
    475.01

    Type:
    ---

    AlogP:
    4.88

    Polar Surface Area:
    91.51

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  4. ALA5195501

    Name:
    (8S,9S,13S,14S)-17-(2-chloropyridin-4-yl)-2-methox
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    Mol. Formula:
    C24H27ClN2O4S

    M.W.:
    475.01

    Type:
    ---

    AlogP:
    4.88

    Polar Surface Area:
    91.51

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  5. ALA4578017

    Name:
    N-(3-chlorophenyl)-2-[4-(4-oxo-3,4-dihydroquinazol
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    Mol. Formula:
    C22H16ClN3O3

    M.W.:
    405.84

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    84.08

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. ALA4464516

    Name:
    NA

    Mol. Formula:
    C62H67N3O20

    M.W.:
    1174.22

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA3780099

    Name:
    2-(6-Fluoro-3-((4-methoxybenzyl)amino)imidazo[1,2-
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    Cas Number:
    1885900-35-5

    Mol. Formula:
    C21H18FN3O2

    M.W.:
    363.39

    Type:
    Small molecule

    AlogP:
    4.47

    Polar Surface Area:
    58.79

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA3780828

    Name:
    2-(3-((4-Methoxybenzyl)amino)imidazo[1,2-a]pyridin
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    Mol. Formula:
    C21H19N3O2

    M.W.:
    345.40

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    58.79

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  9. ALA3629731

    Name:
    2-((2R,4S)-4-((2S,3S)-N,3-Dimethyl-2-((R)-1-methyl
    Show More

    Mol. Formula:
    C31H45N5O4S

    M.W.:
    583.80

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    103.87

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA3629730

    Name:
    N-Isopropyl-2-((2S,4S)-4-((2S,3S)-3-methyl-2-((R)-
    Show More

    Mol. Formula:
    C25H41N5O4S

    M.W.:
    507.70

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA3629729

    Name:
    2-((2S,4S)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
    Show More

    Mol. Formula:
    C30H43N5O4S

    M.W.:
    569.77

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA3629728

    Name:
    N-Isopropyl-2-((2S,4R)-4-((2S,3S)-3-methyl-2-((R)-
    Show More

    Mol. Formula:
    C25H41N5O4S

    M.W.:
    507.70

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  13. ALA3629727

    Name:
    2-((2S,4R)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
    Show More

    Mol. Formula:
    C30H43N5O4S

    M.W.:
    569.77

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA3629726

    Name:
    N-Isopropyl-2-((2R,4R)-4-((2S,3S)-3-methyl-2-((R)-
    Show More

    Mol. Formula:
    C25H41N5O4S

    M.W.:
    507.70

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  15. ALA3629725

    Name:
    2-((2R,4R)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
    Show More

    Mol. Formula:
    C30H43N5O4S

    M.W.:
    569.77

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA3629724

    Name:
    N-Isopropyl-2-((2R,4S)-4-((2S,3S)-3-methyl-2-((R)-
    Show More

    Mol. Formula:
    C25H41N5O4S

    M.W.:
    507.70

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  17. ALA3629723

    Name:
    2-((2R,4S)-4-((2S,3S)-3-Methyl-2-((R)-1-methylpipe
    Show More

    Mol. Formula:
    C30H43N5O4S

    M.W.:
    569.77

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  18. ALA3628395

    Name:
    2-((2R,4S)-4-((2S,3S)-2-(2-(Dimethylamino)acetamid
    Show More

    Mol. Formula:
    C22H37N5O4S

    M.W.:
    467.64

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA3628394

    Name:
    2-((2R,4S)-4-((2S,3S)-2-(2-(Dimethylamino)acetamid
    Show More

    Mol. Formula:
    C27H39N5O4S

    M.W.:
    529.71

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    112.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA3628393

    Name:
    2-((2R,4S)-4-((2S,3S)-2-(Dimethylamino)-3-methylpe
    Show More

    Mol. Formula:
    C20H34N4O3S

    M.W.:
    410.58

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    83.56

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
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