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  1. ALA5280361

    Name:
    ((2S,3R,4R,5R)-5-(4-amino-3-(p-tolyl)-1H-pyrazolo[
    Show More

    Mol. Formula:
    C23H25N5O5S

    M.W.:
    483.55

    Type:
    ---

    AlogP:
    2.43

    Polar Surface Area:
    131.45

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA5289804

    Name:
    5-hydroxy-4,6-dimethyl-1,3-dihydro-2H-pyrrolo[2,3-
    Show More

    Mol. Formula:
    C9H10N2O2

    M.W.:
    178.19

    Type:
    ---

    AlogP:
    0.90

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA1160760

    Name:
    [(4-{2-Acetylamino-2-[1-(3-cyclohexyl-propyl)-2-ox
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    Mol. Formula:
    C27H40F2N3O6P

    M.W.:
    571.60

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    136.04

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. ALA1160756

    Name:
    ({4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-
    Show More

    Mol. Formula:
    C31H34F2N3O6P

    M.W.:
    613.60

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    136.04

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  5. ALA1160754

    Name:
    Phosphoric acid mono-{4-[5-oxo-4-(3-phenyl-propyl)
    Show More

    Mol. Formula:
    C21H25N2O6PS

    M.W.:
    464.48

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    116.17

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  6. ALA1160752

    Name:
    Phosphoric acid mono-{4-[1-(4-tert-butyl-benzyl)-2
    Show More

    Mol. Formula:
    C24H31N2O6P

    M.W.:
    474.49

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    116.17

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  7. ALA1160324

    Name:
    Phosphoric acid mono-[4-(3-amino-4-cyclohexylmetho
    Show More

    Mol. Formula:
    C21H27N2O6P

    M.W.:
    434.43

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    131.11

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  8. ALA1160323

    Name:
    Phosphoric acid mono-[4-(4-cyclohexylmethoxy-benzy
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    Mol. Formula:
    C21H26NO6P

    M.W.:
    419.41

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    105.09

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA1160322

    Name:
    Phosphoric acid mono-[4-(3-chloro-4-cyclohexylmeth
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    Mol. Formula:
    C21H25ClNO6P

    M.W.:
    453.86

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    105.09

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  10. ALA1160321

    Name:
    Phosphoric acid mono-[4-(4-cyclohexylmethoxy-3-met
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    Mol. Formula:
    C22H28NO6P

    M.W.:
    433.44

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    105.09

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  11. ALA1160318

    Name:
    Phosphoric acid mono-[4-(4-cyclohexylmethoxy-3-met
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    Mol. Formula:
    C23H29N2O7P

    M.W.:
    476.47

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    134.19

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA1160317

    Name:
    Phosphoric acid mono-[4-(3-acetyl-4-cyclohexylmeth
    Show More

    Mol. Formula:
    C23H28NO7P

    M.W.:
    461.45

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    122.16

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA1160313

    Name:
    Phosphoric acid mono-[4-(3-carbamoyl-4-cyclohexylm
    Show More

    Mol. Formula:
    C22H27N2O7P

    M.W.:
    462.44

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    148.18

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA1084268

    Name:
    ((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-
    Show More

    Mol. Formula:
    C20H28N6O5P2

    M.W.:
    494.43

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    176.48

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  15. ALA1086680

    Name:
    (E)-4-(2,4-dichlorophenylamino)-6-(4-morpholinobut
    Show More

    Mol. Formula:
    C24H22Cl2N4O

    M.W.:
    453.37

    Type:
    Small molecule

    AlogP:
    5.89

    Polar Surface Area:
    61.18

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA1086679

    Name:
    (E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-mor
    Show More

    Mol. Formula:
    C25H24Cl2N4O2

    M.W.:
    483.40

    Type:
    Small molecule

    AlogP:
    5.90

    Polar Surface Area:
    70.41

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  17. ALA1088697

    Name:
    (E)-4-(2,4-dichloro-5-methoxyphenylamino)-8-(4-mor
    Show More

    Mol. Formula:
    C25H24Cl2N4O2

    M.W.:
    483.40

    Type:
    Small molecule

    AlogP:
    5.90

    Polar Surface Area:
    70.41

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA1088122

    Name:
    (E)-4-(2,4-dichlorophenylamino)-7-(4-morpholinobut
    Show More

    Mol. Formula:
    C24H22Cl2N4O

    M.W.:
    453.37

    Type:
    Small molecule

    AlogP:
    5.89

    Polar Surface Area:
    61.18

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA1088121

    Name:
    (E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-mor
    Show More

    Mol. Formula:
    C25H24Cl2N4O2

    M.W.:
    483.40

    Type:
    Small molecule

    AlogP:
    5.90

    Polar Surface Area:
    70.41

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  20. ALA1098363

    Name:
    (E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox
    Show More

    Mol. Formula:
    C33H40Cl2N4O3

    M.W.:
    611.61

    Type:
    Small molecule

    AlogP:
    8.64

    Polar Surface Area:
    79.64

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
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