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

Items 1-20 of 577

Set Ascending Direction
Select all
  1. ALA1098089

    Name:
    rac-Ethyl 5-Cyano-6-methyl-2-propyl-4-quinolin-4-y
    Show More

    Mol. Formula:
    C22H23N3O2

    M.W.:
    361.45

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  2. ALA1097753

    Name:
    Methyl (4R)-5-Cyano-2,6-dimethyl-4-quinolin-4-yl-1
    Show More

    Mol. Formula:
    C19H17N3O2

    M.W.:
    319.36

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  3. ALA1097752

    Name:
    Methyl (4S)-5-Cyano-2,6-dimethyl-4-quinolin-4-yl-1
    Show More

    Mol. Formula:
    C19H17N3O2

    M.W.:
    319.36

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  4. ALA1097751

    Name:
    tert-Butyl (4R)-4-(2-Chloro-4-fluorophenyl)-5-cyan
    Show More

    Mol. Formula:
    C19H20ClFN2O2

    M.W.:
    362.83

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  5. ALA1097750

    Name:
    tert-Butyl (4S)-4-(2-Chloro-4-fluorophenyl)-5-cyan
    Show More

    Mol. Formula:
    C19H20ClFN2O2

    M.W.:
    362.83

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. ALA1094114

    Name:
    rac-tert-Butyl 4-(2-Chloro-4-fluorophenyl)-5-cyano
    Show More

    Mol. Formula:
    C19H20ClFN2O2

    M.W.:
    362.83

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. ALA1094113

    Name:
    (-)-(S)-3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-ni
    Show More

    Mol. Formula:
    C20H24N2O6

    M.W.:
    388.42

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    107.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA1099083

    Name:
    (+)-(R)-3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-ni
    Show More

    Mol. Formula:
    C20H24N2O6

    M.W.:
    388.42

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    107.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA1095098

    Name:
    mebudipine

    Cas Number:
    103521-70-6

    Mol. Formula:
    C20H24N2O6

    M.W.:
    388.42

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    107.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  10. ALA1095097

    Name:
    eplerenone

    Cas Number:
    107724-20-9

    Mol. Formula:
    C24H30O6

    M.W.:
    414.50

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    82.20

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA1094169

    Name:
    Methyl (4R)-(2-Chloro-4-fluorophenyl)-2-(chloromet
    Show More

    Mol. Formula:
    C16H13Cl2FN2O2

    M.W.:
    355.20

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    62.12

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA1094798

    Name:
    Methyl (4R)-2-(Chloromethyl)-5-cyano-6-methyl-4-qu
    Show More

    Mol. Formula:
    C19H16ClN3O2

    M.W.:
    353.81

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  13. ALA1096306

    Name:
    Methyl (4S)-2-(Chloromethyl)-5-cyano-6-methyl-4-qu
    Show More

    Mol. Formula:
    C19H16ClN3O2

    M.W.:
    353.81

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  14. ALA1094797

    Name:
    (R)-Ethyl 5-Cyano-6-methyl-2-propyl-4-quinolin-4-y
    Show More

    Mol. Formula:
    C22H23N3O2

    M.W.:
    361.45

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    75.01

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  15. ALA4790021

    Name:
    Rac-methyl 2-(4-chlorophenyl)-2-[4-(methanesulfona
    Show More

    Mol. Formula:
    C19H19ClN2O4S

    M.W.:
    406.89

    Type:
    Unknown

    AlogP:
    3.60

    Polar Surface Area:
    77.40

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  16. ALA4756852

    Name:
    Rac-methyl 2-(2-chloro-4-fluorophenyl)-2-(4-fluoro
    Show More

    Mol. Formula:
    C17H12ClF2NO2

    M.W.:
    335.74

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    31.23

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA4777887

    Name:
    Rac-methyl 2-(2-chloro-4-fluorophenyl)-2-indol-1-y
    Show More

    Mol. Formula:
    C17H13ClFNO2

    M.W.:
    317.75

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    31.23

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  18. ALA4777170

    Name:
    Rac-methyl 2-(4-chlorophenyl)-3-cyano-2-[4-(methan
    Show More

    Mol. Formula:
    C20H18ClN3O4S

    M.W.:
    431.90

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    101.19

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA4776613

    Name:
    (2R)-2-(4-chlorophenyl)-2-[4-(methanesulfonamido)i
    Show More

    Mol. Formula:
    C21H21ClF3N3O3S

    M.W.:
    487.93

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    80.20

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  20. ALA4755269

    Name:
    Rac-methyl 2-(4-chlorophenyl)-2-[4-(methanesulfona
    Show More

    Mol. Formula:
    C25H23ClN2O4S

    M.W.:
    482.99

    Type:
    Unknown

    AlogP:
    4.83

    Polar Surface Area:
    77.40

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
Page
per page