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  1. ALA5094997

    Name:
    (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2
    Show More

    Mol. Formula:
    C186H291N53O37S

    M.W.:
    3893.77

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5094989

    Name:
    2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-1-phenyl
    Show More

    Cas Number:
    69463-59-8

    Mol. Formula:
    C11H11N3OS

    M.W.:
    233.30

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    54.88

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA5094958

    Name:
    (4R)-4-[(8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)-4
    Show More

    Mol. Formula:
    C31H40Cl2N4O5

    M.W.:
    619.59

    Type:
    Unknown

    AlogP:
    4.27

    Polar Surface Area:
    125.20

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA5094952

    Name:
    (2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-
    Show More

    Mol. Formula:
    C21H21N3O6S

    M.W.:
    443.48

    Type:
    Unknown

    AlogP:
    0.73

    Polar Surface Area:
    109.27

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA5094948

    Name:
    2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl)-N-(2
    Show More

    Mol. Formula:
    C25H28FN5O4S

    M.W.:
    513.60

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    123.17

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA5094945

    Name:
    5-allyl-N-(1,6-dimethyl-9H-xanthen-9-yl)-2-oxo-6-(
    Show More

    Mol. Formula:
    C25H21F3N2O3

    M.W.:
    454.45

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    71.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA5094941

    Name:
    N-{[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]
    Show More

    Mol. Formula:
    C16H14F2N6O3

    M.W.:
    376.32

    Type:
    Unknown

    AlogP:
    0.26

    Polar Surface Area:
    118.01

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  8. ALA5094940

    Name:
    2-((7-amino-6-fluorobenzo[d]oxazol-2-yl)amino)-4-(
    Show More

    Mol. Formula:
    C26H23ClF4N8O2

    M.W.:
    590.97

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    135.39

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA5094936

    Name:
    N1-(7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl
    Show More

    Mol. Formula:
    C29H32N8O

    M.W.:
    508.63

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    107.01

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA5094932

    Name:
    N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl
    Show More

    Mol. Formula:
    C20H13F6N7OS

    M.W.:
    513.43

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    98.48

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA5094931

    Name:
    N-[[5-(5-fluoro-2-hydroxy-phenyl)-1H-pyrazol-3-yl]
    Show More

    Mol. Formula:
    C18H13F4N3O3

    M.W.:
    395.31

    Type:
    Unknown

    AlogP:
    3.75

    Polar Surface Area:
    87.24

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  12. ALA5094925

    Name:
    N-(pyrimidin-4-ylmethyl)-6-(trifluoromethyl)-7H-py
    Show More

    Mol. Formula:
    C12H9F3N6

    M.W.:
    294.24

    Type:
    Unknown

    AlogP:
    2.38

    Polar Surface Area:
    79.38

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  13. ALA5094918

    Name:
    1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
    Show More

    Mol. Formula:
    C26H29N3O7S

    M.W.:
    527.60

    Type:
    Unknown

    AlogP:
    1.17

    Polar Surface Area:
    108.85

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  14. ALA5094917

    Name:
    2-(2-(ethylsulfonamido)pyrimidin-4-yl)-2-methyl-N-
    Show More

    Mol. Formula:
    C21H21F3N6O3S

    M.W.:
    494.50

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    126.83

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA5094912

    Name:
    N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl
    Show More

    Mol. Formula:
    C24H18F6N4O3

    M.W.:
    524.42

    Type:
    Unknown

    AlogP:
    6.45

    Polar Surface Area:
    82.18

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  16. ALA5094911

    Name:
    (R)-4-(ethylsulfonamido)-N-(4-methyl-6-(2-methylmo
    Show More

    Mol. Formula:
    C27H37N5O4S

    M.W.:
    527.69

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    103.87

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA5094909

    Name:
    4-((R)-2-hydroxy-1-methylethylsulfonamido)-N-(2-((
    Show More

    Mol. Formula:
    C26H36N6O5S

    M.W.:
    544.68

    Type:
    Unknown

    AlogP:
    2.46

    Polar Surface Area:
    136.99

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  18. ALA5094906

    Name:
    N-(1-(2,4-bis(trifluoromethyl)benzyl)-1H-pyrazol-4
    Show More

    Mol. Formula:
    C21H12ClF6N5O2

    M.W.:
    515.80

    Type:
    Unknown

    AlogP:
    5.92

    Polar Surface Area:
    85.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA5094904

    Name:
    2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulf
    Show More

    Mol. Formula:
    C27H37N5O3S

    M.W.:
    511.69

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    103.43

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  20. ALA5094900

    Name:
    N-((2-(2-azaspiro[4.4]nonan-2-ylmethyl)-1H-indol-6
    Show More

    Mol. Formula:
    C27H29N5O2

    M.W.:
    455.56

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    82.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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