The page will load shortly, Thanks for your patience!
View as Grid List

Items 1-20 of 36

Set Ascending Direction
Select all
  1. ALA3215372

    Name:
    2-[6-(4,5-Dihydroxy-2-hydroxymethyl-6-methoxy-tetr
    Show More

    Mol. Formula:
    C16H27NaO12S

    M.W.:
    466.44

    Type:
    Small molecule

    AlogP:
    -3.53

    Polar Surface Area:
    195.60

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA3215371

    Name:
    [6-(4,5-Dihydroxy-2-hydroxymethyl-6-methoxy-tetrah
    Show More

    Mol. Formula:
    C21H29NaO12S

    M.W.:
    528.51

    Type:
    Small molecule

    AlogP:
    -2.18

    Polar Surface Area:
    195.60

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA3215327

    Name:
    2-[6-(4,5-Dihydroxy-2-hydroxymethyl-6-methoxy-tetr
    Show More

    Mol. Formula:
    C17H29NaO12S

    M.W.:
    480.46

    Type:
    Small molecule

    AlogP:
    -3.14

    Polar Surface Area:
    195.60

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA2112527

    Name:
    Sodium salt 4-hydroxy-2-(3,4,5-trihydroxy-6-methox
    Show More

    Mol. Formula:
    C11H19NaO8S

    M.W.:
    334.32

    Type:
    Small molecule

    AlogP:
    -1.99

    Polar Surface Area:
    136.68

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  5. ALA2112525

    Name:
    Sodium salt phenyl-(3,4,5-trihydroxy-6-methoxy-tet
    Show More

    Mol. Formula:
    C15H19NaO7S

    M.W.:
    366.37

    Type:
    Small molecule

    AlogP:
    0.00

    Polar Surface Area:
    116.45

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA2112523

    Name:
    Sodium salt 2-(3,4,5-trihydroxy-6-methoxy-tetrahyd
    Show More

    Mol. Formula:
    C11H19NaO7S

    M.W.:
    318.32

    Type:
    Small molecule

    AlogP:
    -0.96

    Polar Surface Area:
    116.45

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA2111729

    Name:
    Sodium salt phenyl-(3,4,5-trihydroxy-6-methoxy-tet
    Show More

    Mol. Formula:
    C15H19NaO7S

    M.W.:
    366.37

    Type:
    Small molecule

    AlogP:
    0.00

    Polar Surface Area:
    116.45

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  8. ALA2111728

    Name:
    Sodium salt 4-hydroxy-2-(3,4,5-trihydroxy-6-methox
    Show More

    Mol. Formula:
    C11H19NaO8S

    M.W.:
    334.32

    Type:
    Small molecule

    AlogP:
    -1.99

    Polar Surface Area:
    136.68

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA2111727

    Name:
    Sodium salt 2-(3,4,5-trihydroxy-6-methoxy-tetrahyd
    Show More

    Mol. Formula:
    C11H19NaO7S

    M.W.:
    318.32

    Type:
    Small molecule

    AlogP:
    -0.96

    Polar Surface Area:
    116.45

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA1952393

    Name:
    4-((2E,4E,7E)-Undeca-2,4,7-trienylamino)benzoic ac
    Show More

    Mol. Formula:
    C18H23NO2

    M.W.:
    285.39

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA1952392

    Name:
    2-[(2E,4E,7E)-Undeca-2,4,7-trienylideneamino]-1,1-
    Show More

    Mol. Formula:
    C14H22N2O2S

    M.W.:
    282.41

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    49.74

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA1952391

    Name:
    (2E,4E,6E,9E)-Trideca-2,4,6,9-tetraenenitrile

    Mol. Formula:
    C13H17N

    M.W.:
    187.29

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    23.79

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA1952390

    Name:
    (E)-N'-[(2E,4E,7E)-Undeca-2,4,7-trienylidene]propa
    Show More

    Mol. Formula:
    C14H24N2O2S

    M.W.:
    284.43

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    58.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA1952389

    Name:
    (E)-3-Chloro-N'-((2E,4E,7E)-undeca-2,4,7-trienylid
    Show More

    Mol. Formula:
    C14H23ClN2O2S

    M.W.:
    318.87

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    58.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  15. ALA1952388

    Name:
    (E)-Chloro-N'-((2E,4E,7E)-undeca-2,4,7-trienyliden
    Show More

    Mol. Formula:
    C12H19ClN2O2S

    M.W.:
    290.82

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    58.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  16. ALA1952387

    Name:
    Triacsin C

    Cas Number:
    76896-80-5

    Mol. Formula:
    C11H17N3O

    M.W.:
    207.28

    Type:
    Small molecule

    AlogP:
    3.10

    Polar Surface Area:
    53.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA605049

    Name:
    Sodium salt 5-acetylamino-2-(3,4-dihydroxy-5-metho
    Show More

    Mol. Formula:
    C17H28NNaO12S

    M.W.:
    493.46

    Type:
    Small molecule

    AlogP:
    -4.04

    Polar Surface Area:
    215.47

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  18. ALA458362

    Name:
    1-(3-deoxy-3-fluoro-b-D-glycero-hex-2-enopyranosyl
    Show More

    Mol. Formula:
    C22H22FN3O9

    M.W.:
    491.43

    Type:
    Small molecule

    AlogP:
    -0.73

    Polar Surface Area:
    169.44

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA507765

    Name:
    9-(3-deoxy-3-fluoro-6-O-trityl-b-D-glycerohex-2-en
    Show More

    Mol. Formula:
    C37H28FN5O4

    M.W.:
    625.66

    Type:
    Small molecule

    AlogP:
    6.41

    Polar Surface Area:
    108.23

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA506289

    Name:
    1-(3-deoxy-3-fluoro-6-O-trityl-b-Dglycero-hex-2-en
    Show More

    Mol. Formula:
    C41H36FN3O9

    M.W.:
    733.75

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    158.44

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
Page
per page