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

Items 1-20 of 21

Set Ascending Direction
Select all
  1. ALA4741365

    Name:
    (E)-N-(tert-butyl)-2-(4-chlorobenzoyl)-4-(4-fluoro
    Show More

    Mol. Formula:
    C26H28ClFN2O3

    M.W.:
    470.97

    Type:
    Unknown

    AlogP:
    5.04

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA4760591

    Name:
    (E)-2-(4-bromobenzoyl)-N-(tert-butyl)-4-(4-fluorob
    Show More

    Mol. Formula:
    C26H28BrFN2O3

    M.W.:
    515.42

    Type:
    Unknown

    AlogP:
    5.15

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA4784135

    Name:
    (E)-N-(tert-butyl)-2-(4-chlorobenzoyl)-4-(4-fluoro
    Show More

    Mol. Formula:
    C27H30ClFN2O3

    M.W.:
    485.00

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA5281027

    Name:
    Tuaimenal B

    Mol. Formula:
    C24H32O4

    M.W.:
    384.52

    Type:
    ---

    AlogP:
    6.26

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA5289866

    Name:
    Tuaimenal G

    Mol. Formula:
    C25H36O5

    M.W.:
    416.56

    Type:
    ---

    AlogP:
    6.11

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA5289019

    Name:
    (2R,3S)-1-((1S,3R,4R)-4-(2-((6-chloro-3-methylbenz
    Show More

    Mol. Formula:
    C31H48ClN3O4S

    M.W.:
    594.26

    Type:
    ---

    AlogP:
    6.07

    Polar Surface Area:
    65.29

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA5284466

    Name:
    Tuaimenal F

    Mol. Formula:
    C23H34O4

    M.W.:
    374.52

    Type:
    ---

    AlogP:
    5.54

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA5272417

    Name:
    Tuaimenal H

    Mol. Formula:
    C23H32O4

    M.W.:
    372.51

    Type:
    ---

    AlogP:
    5.89

    Polar Surface Area:
    77.76

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  9. ALA5270623

    Name:
    Tuaimenal A

    Mol. Formula:
    C23H30O4

    M.W.:
    370.49

    Type:
    ---

    AlogP:
    5.86

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. ALA5194367

    Name:
    12-[4-(Furan-2-carbonyl)-piperazin-1-ylmethyl]-9-h
    Show More

    Mol. Formula:
    C29H28ClN3O6

    M.W.:
    550.01

    Type:
    ---

    AlogP:
    3.34

    Polar Surface Area:
    88.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA4176395

    Name:
    15-Hydroxyeupachinisin D

    Mol. Formula:
    C22H28O9

    M.W.:
    436.46

    Type:
    Small molecule

    AlogP:
    0.50

    Polar Surface Area:
    139.59

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  12. ALA4175690

    Name:
    4'-Hydroxyeupachinisin C-15-acetate

    Mol. Formula:
    C24H30O9

    M.W.:
    462.50

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    125.43

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  13. ALA4174630

    Name:
    Eupachinisin A-2-acetate

    Mol. Formula:
    C24H30O9

    M.W.:
    462.50

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    125.43

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA4167827

    Name:
    Eupachinsin C

    Mol. Formula:
    C22H28O7

    M.W.:
    404.46

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  15. ALA4167418

    Name:
    Eupachinsin A

    Mol. Formula:
    C22H28O8

    M.W.:
    420.46

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    119.36

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  16. ALA4165787

    Name:
    Eupachinsin D

    Mol. Formula:
    C22H28O8

    M.W.:
    420.46

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    119.36

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  17. ALA3313950

    Name:
    4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracen-1
    Show More

    Mol. Formula:
    C28H21NO5S

    M.W.:
    483.55

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    89.54

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  18. ALA1830936

    Name:
    (25R)-3beta,16beta-Diacetoxy-22-oxocholest-5-en-26
    Show More

    Mol. Formula:
    C37H58O11

    M.W.:
    678.86

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    169.05

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA1092068

    Name:
    (25R)-26-Hydroxy-12,22-dioxo-5alpha-cholestan-3bet
    Show More

    Mol. Formula:
    C31H48O7

    M.W.:
    532.72

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    106.97

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA1093269

    Name:
    (25R)-26-Hydroxy-22-oxocholest-5-en-3beta,16beta-d
    Show More

    Mol. Formula:
    C31H48O6

    M.W.:
    516.72

    Type:
    Small molecule

    AlogP:
    5.65

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
Page
per page