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  1. ALA4533836

    Name:
    3-[(1S,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-a
    Show More

    Mol. Formula:
    C54H74BrO4P

    M.W.:
    898.06

    Type:
    Unknown

    AlogP:
    11.83

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  2. ALA4572117

    Name:
    3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-a
    Show More

    Mol. Formula:
    C54H74BrO4P

    M.W.:
    898.06

    Type:
    Unknown

    AlogP:
    11.83

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. ALA5282169

    Name:
    ethyl 2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylide
    Show More

    Mol. Formula:
    C15H18N4O3S

    M.W.:
    334.40

    Type:
    ---

    AlogP:
    2.08

    Polar Surface Area:
    92.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  4. ALA5281774

    Name:
    2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hyd
    Show More

    Mol. Formula:
    C13H13N5OS

    M.W.:
    287.35

    Type:
    ---

    AlogP:
    1.77

    Polar Surface Area:
    89.64

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. ALA5280355

    Name:
    2-amino-3-(3-ethylphenyl)-4,5-dioxo-3,5-dihydro-4H
    Show More

    Mol. Formula:
    C25H17N3O3

    M.W.:
    407.43

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    102.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA5279370

    Name:
    2-amino-3-(2-ethylphenyl)-4,5-dioxo-3,5-dihydro-4H
    Show More

    Mol. Formula:
    C25H17N3O3

    M.W.:
    407.43

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    102.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA5286622

    Name:
    2-[(2E)-2-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)hyd
    Show More

    Mol. Formula:
    C13H15N5O2S

    M.W.:
    305.36

    Type:
    ---

    AlogP:
    1.00

    Polar Surface Area:
    108.94

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  8. ALA5289823

    Name:

    Mol. Formula:
    C36H54N4O9

    M.W.:
    686.85

    Type:
    ---

    AlogP:
    2.37

    Polar Surface Area:
    158.96

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA5289422

    Name:
    ethyl 2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-yliden
    Show More

    Mol. Formula:
    C14H17N5O3S

    M.W.:
    335.39

    Type:
    ---

    AlogP:
    0.97

    Polar Surface Area:
    118.17

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  10. ALA5288082

    Name:
    (3R,3'R,5aS,5a'S,6R,6'R,8aS,8a'S,9R,9'R,10S,10'S,1
    Show More

    Mol. Formula:
    C30H46O9

    M.W.:
    550.69

    Type:
    ---

    AlogP:
    5.42

    Polar Surface Area:
    83.07

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA4462284

    Name:
    2-(2-(4-benzyl-1-oxophthalazin-2(1H)-yl)acetyl)-N-
    Show More

    Mol. Formula:
    C24H21N5O2S

    M.W.:
    443.53

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    88.05

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  12. ALA4097752

    Name:
    (E)-1,5-dimethyl-4-((2-methyl-7-phenylpyrazolo[1,5
    Show More

    Mol. Formula:
    C24H21N7O

    M.W.:
    423.48

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    81.84

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA4470761

    Name:
    3-[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-a
    Show More

    Mol. Formula:
    C60H78IO4P

    M.W.:
    1021.16

    Type:
    Unknown

    AlogP:
    13.40

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  14. ALA4084756

    Name:
    5,7-dimethyl-N-phenyl-2-(phenylamino)pyrazolo[1,5-
    Show More

    Mol. Formula:
    C21H19N5O

    M.W.:
    357.42

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    71.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  15. ALA4063103

    Name:
    5-amino-N-(4-chlorophenyl)-6-cyano-2-(4-methoxyben
    Show More

    Mol. Formula:
    C29H23ClN6O3

    M.W.:
    539.00

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    127.56

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  16. ALA5283850

    Name:
    3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-methylquina
    Show More

    Mol. Formula:
    C11H8N4OS2

    M.W.:
    276.35

    Type:
    ---

    AlogP:
    1.83

    Polar Surface Area:
    60.67

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA5274561

    Name:
    2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydr
    Show More

    Mol. Formula:
    C12H14N6O2S

    M.W.:
    306.35

    Type:
    ---

    AlogP:
    -0.10

    Polar Surface Area:
    134.96

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  18. ALA5272282

    Name:
    (3R,5aS,6R,8aS,9R,10S,12S,12aR)-3,6,9-trimethyl-10
    Show More

    Mol. Formula:
    C30H46O9

    M.W.:
    550.69

    Type:
    ---

    AlogP:
    5.42

    Polar Surface Area:
    83.07

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA5268292

    Name:
    3-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl
    Show More

    Mol. Formula:
    C10H12N6O2S

    M.W.:
    280.31

    Type:
    ---

    AlogP:
    0.04

    Polar Surface Area:
    118.95

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA5267436

    Name:
    2-[(2E)-2-(3-amino-5-oxo-1H-pyrazol-4-ylidene)hydr
    Show More

    Mol. Formula:
    C12H12N6OS

    M.W.:
    288.34

    Type:
    ---

    AlogP:
    0.67

    Polar Surface Area:
    115.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
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