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Compounds

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Items 1-20 of 916

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  1. ALA5273909

    Name:
    4-amino-2-((4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-5-(thiophen-2-Show More⌵

    Mol. Formula:
    C10H12N8OS2

    M.W.:
    324.40

    Type:
    ---

    AlogP:
    -0.95

    Polar Surface Area:
    122.57

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA5272987

    Name:
    6,7-dimethoxy-4-(selenocyanatomethyl)-2H-chromen-2-one

    Mol. Formula:
    C13H11NO4Se

    M.W.:
    324.19

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5285910

    Name:
    2-(3-Methoxy-5-nitro-1H-indazol-1-yl)ethan-1-amine

    Mol. Formula:
    C10H12N4O3

    M.W.:
    236.23

    Type:
    ---

    AlogP:
    0.91

    Polar Surface Area:
    96.21

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA5220651

    Name:
    trimethyl-[2-[[2-(1-methylpentadecylamino)-3,4-dioxo-cyclobuten-1-yl]amino]Show More⌵

    Mol. Formula:
    C25H48IN3O2

    M.W.:
    549.58

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    5.29

    Polar Surface Area:
    58.20

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA5207964

    Name:
    2-((5-bromo-7-methyl-1H-indol-3-yl)methylene)-N-(4-ethylphenyl)hydrazine-1-Show More⌵

    Mol. Formula:
    C19H19BrN4S

    M.W.:
    415.36

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    5.12

    Polar Surface Area:
    52.21

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA5207092

    Name:
    4-Methyl-5-(1-methyl-1H-pyrazol-4-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3Show More⌵

    Mol. Formula:
    C16H19N5O4

    M.W.:
    345.36

    4  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    -0.25

    Polar Surface Area:
    118.45

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA5206610

    Name:
    4-Methyl-5-(2-chlorophenyl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidShow More⌵

    Mol. Formula:
    C18H18ClN3O4

    M.W.:
    375.81

    4  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    1.67

    Polar Surface Area:
    100.63

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA5205640

    Name:
    4-Methyl-5-(thiazol-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidinShow More⌵

    Mol. Formula:
    C15H16N4O4S

    M.W.:
    348.38

    6  activity values

    5   unique targets

    Type:
    ---

    AlogP:
    0.47

    Polar Surface Area:
    113.52

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. ALA5204324

    Name:
    4-Methyl-5-(pyrimidin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidShow More⌵

    Mol. Formula:
    C16H17N5O4

    M.W.:
    343.34

    6  activity values

    5   unique targets

    Type:
    ---

    AlogP:
    -0.19

    Polar Surface Area:
    126.41

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  10. ALA5203633

    Name:
    8H-2,3,11-Trimethylpyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium mesitylShow More⌵

    Mol. Formula:
    C26H27N3O3S

    M.W.:
    461.59

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    3.15

    Polar Surface Area:
    21.40

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  11. ALA5203219

    Name:
    4-Methyl-5-(quinolin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidiShow More⌵

    Mol. Formula:
    C21H20N4O4

    M.W.:
    392.42

    4  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    1.57

    Polar Surface Area:
    113.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA5201916

    Name:
    8H-2,3,10,11-Tetramethylpyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium meShow More⌵

    Mol. Formula:
    C27H29N3O3S

    M.W.:
    475.61

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    3.46

    Polar Surface Area:
    21.40

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  13. ALA5201417

    Name:
    4-Methyl-5-(2-fluorophenyl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidShow More⌵

    Mol. Formula:
    C18H18FN3O4

    M.W.:
    359.36

    4  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    1.16

    Polar Surface Area:
    100.63

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  14. ALA5199891

    Name:
    4-Methyl-5-(pyridin-4-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pyrimidinShow More⌵

    Mol. Formula:
    C17H18N4O4

    M.W.:
    342.36

    4  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    0.41

    Polar Surface Area:
    113.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  15. ALA5199275

    Name:
    4-Methyl-5-(5-chloropyridin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pShow More⌵

    Mol. Formula:
    C17H17ClN4O4

    M.W.:
    376.80

    6  activity values

    5   unique targets

    Type:
    ---

    AlogP:
    1.07

    Polar Surface Area:
    113.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA5199014

    Name:
    11-Trifluoromethyl-8H-2,3-dimethylpyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-1Show More⌵

    Mol. Formula:
    C26H24F3N3O3S

    M.W.:
    515.56

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    3.86

    Polar Surface Area:
    21.40

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA5196304

    Name:
    10-Chloro-8H-pyridazino[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium mesitylenesulShow More⌵

    Mol. Formula:
    C23H20ClN3O3S

    M.W.:
    453.95

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    2.88

    Polar Surface Area:
    21.40

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.35

    DETAILS
  18. ALA5194086

    Name:
    4-Methyl-5-(6-chloropyridin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pShow More⌵

    Mol. Formula:
    C17H17ClN4O4

    M.W.:
    376.80

    4  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    1.07

    Polar Surface Area:
    113.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  19. ALA5194085

    Name:
    4-Methyl-5-(3-chloropyridin-2-yl)-N7-(beta-D-ribofuranosyl)-pyrrolo[2,3-d]pShow More⌵

    Mol. Formula:
    C17H17ClN4O4

    M.W.:
    376.80

    27  activity values

    8   unique targets

    Type:
    ---

    AlogP:
    1.07

    Polar Surface Area:
    113.52

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA5192994

    Name:
    8H-2,3-dimethyl-11-methoxypyridazinc[2,3-a]pyrrolo[2,1-c]quinoxal-13-inium Show More⌵

    Mol. Formula:
    C26H27N3O4S

    M.W.:
    477.59

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    2.85

    Polar Surface Area:
    30.63

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.40

    DETAILS
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