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  1. ALA1078128

    Name:
    (3S,6S,9S,12S,15S,18S,21S)-12-((1H-indol-3-yl)meth
    Show More

    Mol. Formula:
    C99H140N24O24

    M.W.:
    2050.35

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1160252

    Name:
    4-[4-((S)-2-Carboxy-2-{[(S)-1-(3,5-dichloro-benzen
    Show More

    Mol. Formula:
    C28H28Cl2N4O6S2

    M.W.:
    651.59

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    145.77

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  3. ALA4798264

    Name:
    (S)-3-(2',6'-dimethoxybiphenyl-4-yl)-2-((S)-2-ethy
    Show More

    Mol. Formula:
    C29H32N2O7S

    M.W.:
    552.65

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    122.24

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. Type:
    Unknown

    AlogP:
    1.60

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. ALA4585226

    Name:
    2-(4-Oxoazetidin-2-yl)acetyl)glycine

    Mol. Formula:
    C7H10N2O4

    M.W.:
    186.17

    Type:
    Unknown

    AlogP:
    -1.53

    Polar Surface Area:
    95.50

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  6. ALA4065916

    Name:
    2-(3-benzoylthioureido)-5,7-dihydro-4H-thieno[2,3-
    Show More

    Mol. Formula:
    C16H14N2O4S2

    M.W.:
    362.43

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    87.66

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  7. ALA4447762

    Name:
    2-Oxo-N-(o-tolyl)azetidine-1-carboxamide

    Mol. Formula:
    C11H12N2O2

    M.W.:
    204.23

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    49.41

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.71

    DETAILS
  8. ALA4446073

    Name:
    2-(4-oxoazetidin-2-ylidene)acetic acid

    Mol. Formula:
    C5H5NO3

    M.W.:
    127.10

    Type:
    Unknown

    AlogP:
    -0.53

    Polar Surface Area:
    66.40

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4442651

    Name:
    (o-Tolylcarbamoyl)-L-proline

    Mol. Formula:
    C13H16N2O3

    M.W.:
    248.28

    Type:
    Unknown

    AlogP:
    2.08

    Polar Surface Area:
    69.64

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  10. ALA4105037

    Name:
    2-(3-benzoylureido)-5,5-dimethyl-5,7-dihydro-4H-th
    Show More

    Mol. Formula:
    C18H18N2O5S

    M.W.:
    374.42

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    104.73

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA3590533

    Name:
    (R)-3-(2-cyclohexyl-3-(4-(3-o-tolylureido)benzylca
    Show More

    Mol. Formula:
    C29H34N4O5

    M.W.:
    518.61

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    127.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA3590532

    Name:
    (S)-3-(2-cyclohexyl-3-(4-(3-o-tolylureido)benzylca
    Show More

    Mol. Formula:
    C29H34N4O5

    M.W.:
    518.61

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    127.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA3590531

    Name:
    (R)-3-(2-isopropyl-3-(4-(3-o-tolylureido)benzylcar
    Show More

    Mol. Formula:
    C26H30N4O5

    M.W.:
    478.55

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    127.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  14. ALA3590530

    Name:
    (S)-3-(2-isopropyl-3-(4-(3-o-tolylureido)benzylcar
    Show More

    Mol. Formula:
    C26H30N4O5

    M.W.:
    478.55

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    127.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA3590529

    Name:
    (R)-3-(4-((2-isopropyl-1-(o-tolylcarbamoyl)-2,5-di
    Show More

    Mol. Formula:
    C26H30N4O5

    M.W.:
    478.55

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    127.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  16. ALA3590528

    Name:
    (S)-3-(4-((2-isopropyl-1-(o-tolylcarbamoyl)-2,5-di
    Show More

    Mol. Formula:
    C26H30N4O5

    M.W.:
    478.55

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    127.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  17. ALA3220782

    Name:
    3-[2-(2-tert-butoxy-2-oxoethoxy)-4-{[(4-{[(2,6-dim
    Show More

    Mol. Formula:
    C32H37N3O7

    M.W.:
    575.66

    Type:
    Small molecule

    AlogP:
    5.87

    Polar Surface Area:
    143.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA3220781

    Name:
    3-[2-(2-tert-butoxy-2-oxoethoxy)-4-({[4-({[2-(trif
    Show More

    Mol. Formula:
    C31H32F3N3O7

    M.W.:
    615.61

    Type:
    Small molecule

    AlogP:
    6.27

    Polar Surface Area:
    143.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA3220780

    Name:
    (2-[3-(benzyloxy)-3-oxopropyl]-5-{[(4-{[(2,6-dimet
    Show More

    Mol. Formula:
    C35H35N3O7

    M.W.:
    609.68

    Type:
    Small molecule

    AlogP:
    6.27

    Polar Surface Area:
    143.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA3220779

    Name:
    {2-[3-(benzyloxy)-3-oxopropyl]-5-({[4-({[2-(triflu
    Show More

    Mol. Formula:
    C34H30F3N3O7

    M.W.:
    649.62

    Type:
    Small molecule

    AlogP:
    6.67

    Polar Surface Area:
    143.06

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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