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

Items 1-20 of 33

Set Ascending Direction
Select all
  1. ALA256953

    Name:
    Cephalostatin 13

    Mol. Formula:
    C54H76N2O13

    M.W.:
    961.20

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    244.77

    HBA:
    15

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA403143

    Name:
    Cephalostatin 12

    Mol. Formula:
    C54H76N2O12

    M.W.:
    945.20

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    224.54

    HBA:
    14

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA269081

    Name:
    Cephalostatin 1

    Mol. Formula:
    C54H74N2O10

    M.W.:
    911.19

    Type:
    Small molecule

    AlogP:
    5.50

    Polar Surface Area:
    180.92

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    3

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA153168

    Name:
    (2R,3R)-2-(3,4-Dihydroxy-phenyl)-7-hydroxy-5-(2-methoxycarbonyl-ethyl)-2,3-Show More

    Mol. Formula:
    C20H20O8

    M.W.:
    388.37

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    122.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  5. ALA153320

    Name:
    4-[(2R,3S)-7-Hydroxy-3-hydroxymethyl-5-(3-hydroxy-propyl)-2,3-dihydro-benzoShow More

    Mol. Formula:
    C18H20O6

    M.W.:
    332.35

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    110.38

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA152899

    Name:
    (2R,3R)-2-(4-Hydroxy-3-methoxy-phenyl)-7-methoxy-5-((E)-2-methoxycarbonyl-vShow More

    Mol. Formula:
    C22H22O8

    M.W.:
    414.41

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    100.52

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA538661

    Name:
    (2R,3R)-2-(3,4-Dihydroxy-phenyl)-7-hydroxy-5-((E)-2-methoxycarbonyl-vinyl)-Show More

    Mol. Formula:
    C20H18O8

    M.W.:
    386.36

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    122.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  8. ALA433382

    Name:
    (2-{3-[1-Benzo[1,3]dioxol-5-yl-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1'-en-Show More

    Mol. Formula:
    C22H28ClNO3

    M.W.:
    389.92

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    38.77

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  9. ALA89980

    Name:
    (2-{3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1'-en-1-ylShow More

    Mol. Formula:
    C21H27Cl2NO

    M.W.:
    380.36

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    20.31

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA328503

    Name:
    (2-{3-[1-(3-Bromo-4-methoxy-phenyl)-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1Show More

    Mol. Formula:
    C22H29BrClNO2

    M.W.:
    454.84

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA328125

    Name:
    Dimethyl-(2-{2-oxo-3-[1-phenyl-meth-(E)-ylidene]-bicyclopentyl-1'-en-1-yl}-Show More

    Mol. Formula:
    C21H28ClNO

    M.W.:
    345.91

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    20.31

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  12. ALA421178

    Name:
    (2-{3-[1-(3-Methoxy-phenyl)-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1'-en-1-yShow More

    Mol. Formula:
    C22H30ClNO2

    M.W.:
    375.94

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA441264

    Name:
    (2-{3-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1'-en-1-yShow More

    Mol. Formula:
    C22H30ClNO2

    M.W.:
    375.94

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA92378

    Name:
    (2-{3-[1-(2-Methoxy-phenyl)-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1'-en-1-yShow More

    Mol. Formula:
    C22H30ClNO2

    M.W.:
    375.94

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA328293

    Name:
    (2-{3-[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-2-oxo-bicyclopentyl-1'-en-1-ylShow More

    Mol. Formula:
    C21H27Cl2NO

    M.W.:
    380.36

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    20.31

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  16. ALA18612

    Name:
    2-(3,4-dimethoxyphenyl)-11,12-dimethoxy-3-oxatetracyclo[7.4.0.02,5.05,7]triShow More

    Mol. Formula:
    C23H26O6

    M.W.:
    398.46

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    66.38

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  17. ALA275853

    Name:
    1-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadShow More

    Mol. Formula:
    C24H26O8

    M.W.:
    442.46

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    81.68

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  18. ALA18530

    Name:
    4,5-dimethoxy-1-(3,4,5-trimethoxyphenyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2Show More

    Mol. Formula:
    C23H28O7

    M.W.:
    416.47

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    75.61

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  19. ALA18378

    Name:
    2-(3,4-dimethoxyphenyl)-13,14-dimethoxy-3,9-dioxapentacyclo[9.4.0.02,5.05,7Show More

    Mol. Formula:
    C23H24O6

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    55.38

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  20. ALA18717

    Name:
    2-(3,4,5-trimethoxyphenyl)-3,9,14,16-tetraoxahexacyclo[9.7.0.02,5.05,7.06,1Show More

    Mol. Formula:
    C23H22O7

    M.W.:
    410.42

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    64.61

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
Page
per page