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

16 Items

Set Ascending Direction
Select all
  1. ALA5267266

    Name:
    N-(4-methoxyphenyl)benzo[b]quinolizin-5-ium-9-amine bromide

    Mol. Formula:
    C20H17BrN2O

    M.W.:
    381.27

    Type:
    ---

    AlogP:
    4.33

    Polar Surface Area:
    25.36

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. ALA5267145

    Name:
    N-(4-chlorophenyl)benzo[b]quinolizin-5-ium-9-amine bromide

    Mol. Formula:
    C19H14BrClN2

    M.W.:
    385.69

    Type:
    ---

    AlogP:
    4.98

    Polar Surface Area:
    16.13

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  3. ALA5266877

    Name:
    2-[(1R,3R)-7-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-Show More

    Mol. Formula:
    C17H16O6

    M.W.:
    316.31

    Type:
    ---

    AlogP:
    2.02

    Polar Surface Area:
    89.90

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  4. ALA5266560

    Name:
    N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine bromide

    Mol. Formula:
    C19H14BrFN2

    M.W.:
    369.24

    Type:
    ---

    AlogP:
    4.46

    Polar Surface Area:
    16.13

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA5279869

    Name:
    N-(p-tolyl)benzo[b]quinolizin-5-ium-9-amine bromide

    Mol. Formula:
    C20H17BrN2

    M.W.:
    365.27

    Type:
    ---

    AlogP:
    4.63

    Polar Surface Area:
    16.13

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA5276200

    Name:
    N-phenylbenzo[b]quinolizin-5-ium-9-amine bromide

    Mol. Formula:
    C19H15BrN2

    M.W.:
    351.25

    Type:
    ---

    AlogP:
    4.32

    Polar Surface Area:
    16.13

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  7. ALA5290135

    Name:
    N4-benzo[b]quinolizin-5-ium-9-yl-N1,N1-dimethyl-benzene-1,4-diamine bromide

    Mol. Formula:
    C21H20BrN3

    M.W.:
    394.32

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    19.37

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA5289728

    Name:
    N-(3-chlorophenyl)benzo[b]quinolizin-5-ium-9-amine bromide

    Mol. Formula:
    C19H14BrClN2

    M.W.:
    385.69

    Type:
    ---

    AlogP:
    4.98

    Polar Surface Area:
    16.13

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. IACS-8968 R-enantiomer

    Name:
    (R)-6,6-dimethyl-8-(7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl)-1,3,8-trShow More

    Mol. Formula:
    C17H18F3N5O2

    M.W.:
    381.36

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    78.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA4861332

    Name:
    4-chloro-N-((R)-1-((1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzo[d]imidazol-1-yl)bShow More

    Mol. Formula:
    C23H22ClF2N3O

    M.W.:
    429.90

    Type:
    Unknown

    AlogP:
    5.37

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  11. ALA4858888

    Name:
    N-(4-Chlorophenyl)-2-((1R,3s,5S,6r)-3-(5,6-difluoro-1H-benzo[d]-imidazol-1-Show More

    Mol. Formula:
    C22H20ClF2N3O

    M.W.:
    415.87

    Type:
    Unknown

    AlogP:
    4.98

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  12. ALA4856710

    Name:
    N-(4-Chlorophenyl)-2-((1R,3s,5S,6r)-3-((6-fluoroquinolin-4-yl)-oxy)bicyclo[Show More

    Mol. Formula:
    C24H22ClFN2O

    M.W.:
    408.90

    Type:
    Unknown

    AlogP:
    5.59

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. (2S)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoro-4-quinolyl)cyclohexyl]propanamide

    Name:
    (S)-N-(4-chlorophenyl)-2-((1s,4R)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propaShow More

    Mol. Formula:
    C24H24ClFN2O

    M.W.:
    410.92

    Type:
    Unknown

    AlogP:
    6.58

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. IACS-8968 S-enantiomer

    Name:
    (S)-6,6-dimethyl-8-(7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl)-1,3,8-trShow More

    Mol. Formula:
    C17H18F3N5O2

    M.W.:
    381.36

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    78.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  15. ALA4534417

    Name:
    8-aminobenzo[b]quinolizinium bromide

    Mol. Formula:
    C13H11BrN2

    M.W.:
    275.15

    Type:
    Unknown

    AlogP:
    2.16

    Polar Surface Area:
    30.12

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.33

    DETAILS
  16. ALA1623628

    Name:
    1-(2,3-dimethyl-1H-indol-1-yl)-3-(phenylamino)propan-2-ol

    Mol. Formula:
    C19H22N2O

    M.W.:
    294.40

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    37.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
per page