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Compounds

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  1. ALA5271594

    Name:
    3-hydroxy-7,8-dimethoxyserrulat-14-en-19-oic acid methyl ester

    Mol. Formula:
    C23H34O5

    M.W.:
    390.52

    Type:
    ---

    AlogP:
    4.82

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  2. ALA4877669

    Name:
    3,5-Dihydroxy-2-((5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3-((3,4,5-tShow More⌵

    Mol. Formula:
    C30H34O16

    M.W.:
    650.59

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    -0.14

    Polar Surface Area:
    244.27

    HBA:
    16

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. ALA4849237

    Name:
    5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-bis((3,4,5-trihydroxy-6-methyltShow More⌵

    Mol. Formula:
    C28H32O15

    M.W.:
    608.55

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    -0.71

    Polar Surface Area:
    238.20

    HBA:
    15

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  4. ALA4800634

    Name:
    (S)-N-(4-(methylsulfonyl)phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidiShow More⌵

    Mol. Formula:
    C20H20N4O4S

    M.W.:
    412.47

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    105.40

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA4800223

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidiShow More⌵

    Mol. Formula:
    C19H16Cl2N4O2

    M.W.:
    403.27

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    5.41

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA4799207

    Name:
    (S)-N-(3-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboShow More⌵

    Mol. Formula:
    C19H17FN4O2

    M.W.:
    352.37

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  7. ALA4798790

    Name:
    (S)-N-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

    Mol. Formula:
    C19H18N4O2

    M.W.:
    334.38

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4798746

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl)pyrrolidShow More⌵

    Mol. Formula:
    C19H17ClN4O3

    M.W.:
    384.82

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    91.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA4798642

    Name:
    (S)-N-(2-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboShow More⌵

    Mol. Formula:
    C19H17ClN4O2

    M.W.:
    368.82

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA4797898

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidiShow More⌵

    Mol. Formula:
    C19H16ClFN4O2

    M.W.:
    386.81

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.90

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  11. ALA4797476

    Name:
    (S)-N-(4-nitrophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxShow More⌵

    Mol. Formula:
    C19H17N5O4

    M.W.:
    379.38

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    114.40

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. ALA4797116

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidiShow More⌵

    Mol. Formula:
    C19H16ClFN4O2

    M.W.:
    386.81

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.90

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  13. ALA4796960

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)pyrrolidShow More⌵

    Mol. Formula:
    C20H19ClN4O3

    M.W.:
    398.85

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    80.49

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  14. ALA4796910

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl)pyrrolidinShow More⌵

    Mol. Formula:
    C20H16ClN5O2

    M.W.:
    393.83

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.63

    Polar Surface Area:
    95.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA4796572

    Name:
    (S)-N-(4-isopropylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-caShow More⌵

    Mol. Formula:
    C22H24N4O2

    M.W.:
    376.46

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    5.23

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  16. ALA4796543

    Name:
    (S)-N-(4-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboShow More⌵

    Mol. Formula:
    C21H20N4O3

    M.W.:
    376.42

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    88.33

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA4796504

    Name:
    (S)-N-(4-chlorophenyl)-2-(3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl)pyrrolidShow More⌵

    Mol. Formula:
    C19H17ClN4O3

    M.W.:
    384.82

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    91.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA4796098

    Name:
    (S)-N-(4-iodophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxaShow More⌵

    Mol. Formula:
    C19H17IN4O2

    M.W.:
    460.27

    4  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.71

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  19. ALA4796017

    Name:
    (S)-N-(2-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboShow More⌵

    Mol. Formula:
    C19H17FN4O2

    M.W.:
    352.37

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    71.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  20. ALA4795754

    Name:
    (S)-N-(4-(N,N-dimethylsulfamoyl)phenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyShow More⌵

    Mol. Formula:
    C21H23N5O4S

    M.W.:
    441.51

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    108.64

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
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