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

Items 1-20 of 491

Set Ascending Direction
Select all
  1. ALA4874753

    Name:
    (E/Z)-2-((3-((2-fluoro-9H-fluoren-9-ylidene)methyl
    Show More

    Mol. Formula:
    C21H17FN2O

    M.W.:
    332.38

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    48.14

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  2. ALA4099136

    Name:
    3-Chloro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrid
    Show More

    Mol. Formula:
    C23H22ClN3O4

    M.W.:
    439.90

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    73.66

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA4103520

    Name:
    3-Chloro-6-(3-(1H-Imidazol-1-yl)propyl)-9-methoxy-
    Show More

    Mol. Formula:
    C22H17ClN4O3

    M.W.:
    420.86

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    79.01

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA4101133

    Name:
    3-Fluoro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-m
    Show More

    Mol. Formula:
    C24H24FN3O4

    M.W.:
    437.47

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    84.66

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA4094373

    Name:
    3-Fluoro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5
    Show More

    Mol. Formula:
    C23H22FN3O3

    M.W.:
    407.45

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    64.43

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  6. ALA4090922

    Name:
    3-Chloro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H
    Show More

    Mol. Formula:
    C23H23ClN4O3

    M.W.:
    438.92

    Type:
    Small molecule

    AlogP:
    2.57

    Polar Surface Area:
    76.46

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4088041

    Name:
    Xylorumphiin n

    Mol. Formula:
    C36H48O13

    M.W.:
    688.77

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    181.19

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4085641

    Name:
    3-Fluoro-6-(3-(isopropylamino)propyl)-9-methoxy-5H
    Show More

    Mol. Formula:
    C22H22FN3O3

    M.W.:
    395.43

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    73.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  9. ALA4072994

    Name:
    3-Fluoro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrid
    Show More

    Mol. Formula:
    C23H22FN3O4

    M.W.:
    423.44

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    73.66

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA4072940

    Name:
    3-Chloro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5
    Show More

    Mol. Formula:
    C23H22ClN3O3

    M.W.:
    423.90

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    64.43

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  11. ALA4072279

    Name:
    3-Chloro-6-(3-((4,5-dihydrothiazol-2-yl)amino)prop
    Show More

    Mol. Formula:
    C22H19ClN4O3S

    M.W.:
    454.94

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    85.58

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  12. ALA4072024

    Name:
    Xylorumphiin M

    Mol. Formula:
    C36H48O13

    M.W.:
    688.77

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    181.19

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA4071339

    Name:
    Xyloccensin E

    Mol. Formula:
    C35H42O14

    M.W.:
    686.71

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    172.33

    HBA:
    14

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA4070873

    Name:
    3-Fluoro-9-methoxy-6-(3-(methylamino)propyl)-5H-py
    Show More

    Mol. Formula:
    C20H18FN3O3

    M.W.:
    367.38

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    73.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA4064072

    Name:
    3-Chloro-9-methoxy-6-(3-(isopropylamino)propyl)-5H
    Show More

    Mol. Formula:
    C22H22ClN3O3

    M.W.:
    411.89

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    73.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  16. ALA4063586

    Name:
    3-Fluoro-6-(3-((4,5-dihydrothiazol-2-yl)amino)prop
    Show More

    Mol. Formula:
    C22H19FN4O3S

    M.W.:
    438.48

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    85.58

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA4063011

    Name:
    3-Fluoro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H
    Show More

    Mol. Formula:
    C23H23FN4O3

    M.W.:
    422.46

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    76.46

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  18. ALA4083140

    Name:
    3-Chloro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-m
    Show More

    Mol. Formula:
    C24H24ClN3O4

    M.W.:
    453.93

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    84.66

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA4079315

    Name:
    3-Chloro-9-methoxy-6-(3-(ethylamino)propyl)-5H-pyr
    Show More

    Mol. Formula:
    C21H20ClN3O3

    M.W.:
    397.86

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    73.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  20. ALA4078480

    Name:
    Xylorumphiin O

    Mol. Formula:
    C37H50O13

    M.W.:
    702.79

    Type:
    Small molecule

    AlogP:
    3.28

    Polar Surface Area:
    181.19

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
Page
per page