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Compounds

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  1. ALA5205738

    Name:
    5-[(1S)-2-[3-(4-fluoro-5-oxo-2H-furan-3-yl)-3,9-diazaspiro[5.5]undecan-9-ylShow More⌵

    Mol. Formula:
    C24H29FN2O5

    M.W.:
    444.50

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.61

    Polar Surface Area:
    79.31

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  2. ALA5184078

    Name:
    3-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-isobenzofuran-5-yl)ethyl]-4-piperShow More⌵

    Mol. Formula:
    C25H30N2O6

    M.W.:
    454.52

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.09

    Polar Surface Area:
    96.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA5091929

    Name:
    (R)-8-(2-Hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More⌵

    Mol. Formula:
    C23H26N2O6

    M.W.:
    426.47

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    1.45

    Polar Surface Area:
    96.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA5085300

    Name:
    (R)-2-(4-Methyl-5-oxo-2,5-dihydrofuran-3-yl)-8-(2-hydroxy-2-(4-methyl-1-oxoShow More⌵

    Mol. Formula:
    C25H30N2O5

    M.W.:
    438.52

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    2.65

    Polar Surface Area:
    87.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA5085209

    Name:
    (R)-5-(1-Hydroxy-2-(2-(5-oxo-2,5-dihydrofuran-3-yl)-2,8-diazaspiro[4.5]decaShow More⌵

    Mol. Formula:
    C23H28N2O5

    M.W.:
    412.49

    4  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    1.93

    Polar Surface Area:
    79.31

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  6. ALA5084415

    Name:
    8-((R)-2-Hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More⌵

    Mol. Formula:
    C24H28N2O6

    M.W.:
    440.50

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    1.84

    Polar Surface Area:
    96.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA5080394

    Name:
    (R)-8-(2-Hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More⌵

    Mol. Formula:
    C24H28N2O5

    M.W.:
    424.50

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    2.26

    Polar Surface Area:
    87.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA5078395

    Name:
    (R)-2-(4-Ethyl-5-oxo-2,5-dihydrofuran-3-yl)-8-(2-hydroxy-2-(4-methyl-1-oxo-Show More⌵

    Mol. Formula:
    C25H30N2O6

    M.W.:
    454.52

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    96.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA5077809

    Name:
    2-(2,4-Dimethyl-5-oxo-2,5-dihydrofuran-3-yl)-8-((R)-2-hydroxy-2-(4-methyl-1Show More⌵

    Mol. Formula:
    C25H30N2O6

    M.W.:
    454.52

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    96.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA4563446

    Name:
    (R)-4-(5-((2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethylaShow More⌵

    Mol. Formula:
    C23H21N3O3S

    M.W.:
    419.51

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    95.24

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  11. ALA4559408

    Name:
    Tertiapin

    Mol. Formula:
    C106H176N34O23S5

    M.W.:
    2455.12

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4549009

    Name:
    4-methyl-6-(5-(((3S,5R)-3-methyl-5-(4-methyl-1-oxo-1,3-dihydroisobenzofuranShow More⌵

    Mol. Formula:
    C25H25N5O3

    M.W.:
    443.51

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    104.28

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA4548110

    Name:
    (R)-2-ethoxy-4-(4-((2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-Show More⌵

    Mol. Formula:
    C24H24N4O4

    M.W.:
    432.48

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    109.40

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA4544141

    Name:
    5-(8-(2-(4-(1H-tetrazol-1-yl)phenyl)acetyl)octahydropyrazino[2,1-c][1,4]oxaShow More⌵

    Mol. Formula:
    C24H24N6O4

    M.W.:
    460.49

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.16

    Polar Surface Area:
    102.68

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA4465260

    Name:
    1-(6-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-5,6,Show More⌵

    Mol. Formula:
    C27H23N5O3

    M.W.:
    465.51

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    104.27

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  16. ALA4462473

    Name:
    (R)-1-(6-((3-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)piperazin-1-yl)mShow More⌵

    Mol. Formula:
    C23H22N6O2

    M.W.:
    414.47

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    2.26

    Polar Surface Area:
    96.07

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4451354

    Name:
    3-((3R,9aS)-8-(2-(4-(1H-tetrazol-1-yl)phenyl)acetyl)octahydropyrazino[2,1-cShow More⌵

    Mol. Formula:
    C24H25N7O2

    M.W.:
    443.51

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.67

    Polar Surface Area:
    100.17

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  18. ALA4447159

    Name:
    1-(6-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-5,6,Show More⌵

    Mol. Formula:
    C26H22N6O3

    M.W.:
    466.50

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    117.16

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  19. ALA4175004

    Name:
    3-(N-(4-chlorophenyl)sulfamoyl)-4-methyl-N-((1-methyl-1H-1,2,3-triazol-4-ylShow More⌵

    Mol. Formula:
    C18H18ClN5O3S

    M.W.:
    419.89

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    105.98

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  20. ALA4174695

    Name:
    3-(N-(4-chlorophenyl)sulfamoyl)-4-methyl-N-((3-methyl-1,2,4-oxadiazol-5-yl)Show More⌵

    Mol. Formula:
    C18H17ClN4O4S

    M.W.:
    420.88

    11  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    114.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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