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

Items 1-20 of 1,037

Set Ascending Direction
Select all
  1. ALA4514560

    Name:
    5-(Benzo[d]thiazol-2-ylmethoxy)-N4-butylpyrimidine
    Show More

    Mol. Formula:
    C16H19N5OS

    M.W.:
    329.43

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    85.95

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  2. ALA4513967

    Name:
    N4-Butyl-5-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)pyr
    Show More

    Mol. Formula:
    C16H20N6O

    M.W.:
    312.38

    Type:
    Unknown

    AlogP:
    2.50

    Polar Surface Area:
    90.36

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  3. ALA4483745

    Name:
    NA

    Mol. Formula:
    C42H46N8O7

    M.W.:
    774.88

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    196.05

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  4. ALA4476592

    Name:
    1-Isopentylimidazo[1,5-a]quinoxalin-4-amine

    Mol. Formula:
    C15H18N4

    M.W.:
    254.34

    Type:
    Unknown

    AlogP:
    3.05

    Polar Surface Area:
    56.21

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  5. ALA4475655

    Name:
    N4-Butyl-5-(pyrazin-2-ylmethoxy)pyrimidine-2,4-dia
    Show More

    Mol. Formula:
    C13H18N6O

    M.W.:
    274.33

    Type:
    Unknown

    AlogP:
    1.64

    Polar Surface Area:
    98.84

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA4475558

    Name:
    1-(3-methoxypropyl)chromeno[3,4-d]imidazol-4(1H)-o
    Show More

    Mol. Formula:
    C14H14N2O3

    M.W.:
    258.28

    Type:
    Unknown

    AlogP:
    2.18

    Polar Surface Area:
    57.26

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA4475425

    Name:
    N-{4-[3,5-Bis(trifluoromethyl)phenoxy]phenyl}-2-fl
    Show More

    Mol. Formula:
    C21H12F7NO3

    M.W.:
    459.32

    Type:
    Unknown

    AlogP:
    6.61

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA4538611

    Name:
    N4-Butyl-5-isopropoxypyrimidine-2,4-diamine

    Mol. Formula:
    C11H20N4O

    M.W.:
    224.31

    Type:
    Unknown

    AlogP:
    2.06

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  9. ALA4538039

    Name:
    4-(((6-amino-9-benzyl-2-butoxy-9H-purin-8-yl)thio)
    Show More

    Mol. Formula:
    C24H24N6OS

    M.W.:
    444.56

    Type:
    Unknown

    AlogP:
    4.80

    Polar Surface Area:
    102.64

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA4536911

    Name:
    9-benzyl-8-(benzylthio)-2-butoxy-9H-purin-6-amine

    Mol. Formula:
    C23H25N5OS

    M.W.:
    419.55

    Type:
    Unknown

    AlogP:
    4.93

    Polar Surface Area:
    78.85

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA4524791

    Name:
    1-isopropylchromeno[3,4-d]imidazol-4(1H)-one

    Cas Number:
    87236-19-9

    Mol. Formula:
    C13H12N2O2

    M.W.:
    228.25

    Type:
    Unknown

    AlogP:
    2.72

    Polar Surface Area:
    48.03

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  12. ALA4524487

    Name:
    1-Ethyl-8-fluorochromeno[3,4-d]imidazol-4(1H)-one

    Mol. Formula:
    C12H9FN2O2

    M.W.:
    232.21

    Type:
    Unknown

    AlogP:
    2.30

    Polar Surface Area:
    48.03

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  13. ALA4524477

    Name:
    4-[3,5-Bis(trifluoromethyl)phenoxy]-N-(2-chloro-6-
    Show More

    Mol. Formula:
    C21H11ClF7NO2

    M.W.:
    477.76

    Type:
    Unknown

    AlogP:
    7.56

    Polar Surface Area:
    38.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA4519789

    Name:
    (3S)-3-((2-Amino-5-methoxypyrimidin-4-yl)amino)-4-
    Show More

    Mol. Formula:
    C12H22N4O2

    M.W.:
    254.33

    Type:
    Unknown

    AlogP:
    1.28

    Polar Surface Area:
    93.29

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  15. ALA4535328

    Name:
    N4-Butyl-5-((2-methylthiazol-4-yl)methoxy)pyrimidi
    Show More

    Mol. Formula:
    C13H19N5OS

    M.W.:
    293.40

    Type:
    Unknown

    AlogP:
    2.61

    Polar Surface Area:
    85.95

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  16. ALA4533565

    Name:
    4-(2-(trifluoromethyl)quinazolin-4-yl)morpholine

    Cas Number:
    914219-13-9

    Mol. Formula:
    C13H12F3N3O

    M.W.:
    283.25

    Type:
    Unknown

    AlogP:
    2.49

    Polar Surface Area:
    38.25

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  17. ALA4532249

    Name:
    Resiquimod

    Mol. Formula:
    C18H23N3O2

    M.W.:
    313.40

    Type:
    Unknown

    AlogP:
    3.08

    Polar Surface Area:
    73.30

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  18. ALA4531839

    Name:
    5-Methoxy-N4-(4,4,4-trifluorobutyl)pyrimidine-2,4-
    Show More

    Mol. Formula:
    C9H13F3N4O

    M.W.:
    250.22

    Type:
    Unknown

    AlogP:
    1.82

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  19. Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    56.21

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  20. ALA4560728

    Name:
    N-(4-(3,5-Bis(trifluoromethyl)phenoxy)phenyl)-2,3,
    Show More

    Mol. Formula:
    C21H8F11NO2

    M.W.:
    515.28

    Type:
    Unknown

    AlogP:
    7.46

    Polar Surface Area:
    38.33

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
Page
per page