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Compounds

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Items 1-20 of 677

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  1. ALA5276813

    Name:
    (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-Show More⌵

    Mol. Formula:
    C44H63FN8O11S

    M.W.:
    931.10

    Type:
    ---

    AlogP:
    3.23

    Polar Surface Area:
    248.10

    HBA:
    16

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  2. ALA5207825

    Name:
    (4R,7S)-3-(4-methoxybenzyl)-3,5,6,7-tetrahydrospiro[benzo[d][1,2,3]triazoleShow More⌵

    Mol. Formula:
    C19H24N4O4

    M.W.:
    372.43

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.53

    Polar Surface Area:
    90.80

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  3. ALA4591797

    Name:
    (S)-1-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-hydroxy-2-oxopyrrolidine-3Show More⌵

    Mol. Formula:
    C19H15ClF2N4O3

    M.W.:
    420.80

    14  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    2.28

    Polar Surface Area:
    98.32

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4589384

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid 2-ChlorobenzylamiShow More⌵

    Mol. Formula:
    C18H17ClN2O3

    M.W.:
    344.80

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.12

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  5. ALA4587873

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid 3-MethylbenzylamiShow More⌵

    Mol. Formula:
    C19H20N2O3

    M.W.:
    324.38

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.78

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  6. ALA4584721

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid 3-FluorobenzylamiShow More⌵

    Mol. Formula:
    C18H17FN2O3

    M.W.:
    328.34

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.61

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  7. ALA4576078

    Name:
    (S)-3-Hydroxy-2-oxo-1-o-tolyl-pyrrolidine-3-carboxylic Acid 3-Chloro-5-fluoShow More⌵

    Mol. Formula:
    C19H18ClFN2O3

    M.W.:
    376.81

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.57

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  8. ALA4575412

    Name:
    (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-Show More⌵

    Mol. Formula:
    C21H18ClF2N3O4

    M.W.:
    449.84

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.29

    Polar Surface Area:
    98.74

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA4572185

    Name:
    (R)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid (2-Thiophen-2-yleShow More⌵

    Mol. Formula:
    C17H18N2O3S

    M.W.:
    330.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.57

    Polar Surface Area:
    69.64

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. ALA4572028

    Name:
    (S)-1-(3-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-hydroxy-2-oxopyrrolidine-3Show More⌵

    Mol. Formula:
    C19H15Cl2FN4O3

    M.W.:
    437.26

    14  activity values

    5   unique targets

    Type:
    Unknown

    AlogP:
    2.79

    Polar Surface Area:
    98.32

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  11. ALA4570368

    Name:
    (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-Show More⌵

    Mol. Formula:
    C21H18F3N3O4

    M.W.:
    433.39

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    98.74

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  12. ALA4568227

    Name:
    2-oxo-1-phenyl-N-(2-(thiophen-2-yl)ethyl)pyrrolidine-3-carboxamide

    Mol. Formula:
    C17H18N2O2S

    M.W.:
    314.41

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.46

    Polar Surface Area:
    49.41

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  13. ALA4566917

    Name:
    (S)-3-Hydroxy-2-oxo-1-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-pyrrolidine-Show More⌵

    Mol. Formula:
    C21H19F2N3O4

    M.W.:
    415.40

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.63

    Polar Surface Area:
    98.74

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  14. ALA4566670

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid (2-Thiophen-2-yleShow More⌵

    Mol. Formula:
    C17H18N2O3S

    M.W.:
    330.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.57

    Polar Surface Area:
    69.64

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  15. ALA4563305

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid (4-MethylthiophenShow More⌵

    Mol. Formula:
    C17H18N2O3S

    M.W.:
    330.41

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.84

    Polar Surface Area:
    69.64

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  16. ALA4559822

    Name:
    (S)-1-(4-Cyanophenyl)-3-hydroxy-2-oxopyrrolidine-3-carboxylic Acid 3-ChloroShow More⌵

    Mol. Formula:
    C19H15ClFN3O3

    M.W.:
    387.80

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.13

    Polar Surface Area:
    93.43

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA4558399

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid 3,5-DifluorobenzyShow More⌵

    Mol. Formula:
    C18H16F2N2O3

    M.W.:
    346.33

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.75

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  18. ALA4556838

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid 4-ChlorobenzylamiShow More⌵

    Mol. Formula:
    C18H17ClN2O3

    M.W.:
    344.80

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.12

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA4556036

    Name:
    (S)-3-Hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxylic Acid 2-FluorobenzylamiShow More⌵

    Mol. Formula:
    C18H17FN2O3

    M.W.:
    328.34

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.61

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  20. ALA4555571

    Name:
    (2'R,7R)-3-(4-methoxybenzyl)-3,5,6,7-tetrahydrospiro[benzo[d][1,2,3]triazolShow More⌵

    Mol. Formula:
    C19H24N4O4

    M.W.:
    372.43

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    90.80

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
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