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

Items 1-20 of 519

Set Ascending Direction
Select all
  1. ALA4876599

    Name:
    (3aR,5s,6aS)-N-(6-phenylpyridazin-3-yl)-2-((tetrah
    Show More

    Mol. Formula:
    C23H30N4O

    M.W.:
    378.52

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  2. ALA4873617

    Name:
    (3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-yl)methyl-d
    Show More

    Mol. Formula:
    C23H27F3N4O

    M.W.:
    434.50

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA4873386

    Name:
    (3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridaz
    Show More

    Mol. Formula:
    C23H28ClFN4O

    M.W.:
    430.96

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA4872142

    Name:
    (S)-N-acetyl-6-amino-2-((S)-5-guanidino-2-(propyla
    Show More

    Mol. Formula:
    C21H37F6N7O7

    M.W.:
    613.56

    Type:
    Unknown

    AlogP:
    -1.11

    Polar Surface Area:
    175.22

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA4864914

    Name:
    (3aR,5s,6aS)-N-(6-(2,5-difluorophenyl)pyridazin-3-
    Show More

    Mol. Formula:
    C23H28F2N4O

    M.W.:
    414.50

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  6. ALA4861863

    Name:
    (3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridaz
    Show More

    Mol. Formula:
    C23H28ClFN4O

    M.W.:
    432.97

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. ALA4860985

    Name:
    (3aR,5s,6aS)-N-(6-(4-fluorophenyl)pyridazin-3-yl)-
    Show More

    Mol. Formula:
    C23H29FN4O

    M.W.:
    396.51

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA4848896

    Name:
    (3aR,5s,6aS)-N-(6-(pyridin-3-yl)pyridazin-3-yl)-2-
    Show More

    Mol. Formula:
    C22H29N5O

    M.W.:
    379.51

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    63.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  9. ALA4846035

    Name:
    (S)-N-acetyl-6-amino-2-((S)-2-((S)-5-guanidino-2-(
    Show More

    Mol. Formula:
    C24H42F6N8O8

    M.W.:
    684.64

    Type:
    Unknown

    AlogP:
    -1.60

    Polar Surface Area:
    204.32

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  10. ALA5274306

    Name:
    (1-(4-fluorophenyl)-1H-indol-5-yl)(3-(4-(pyrimidin
    Show More

    Mol. Formula:
    C26H25FN6O

    M.W.:
    456.53

    Type:
    ---

    AlogP:
    3.21

    Polar Surface Area:
    57.50

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA5200705

    Name:
    1-(3-chlorobenzyl)-4-(4,4-difluoropiperidin-1-yl)-
    Show More

    Mol. Formula:
    C23H20ClF2N3

    M.W.:
    411.88

    Type:
    ---

    AlogP:
    6.13

    Polar Surface Area:
    21.06

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  12. ALA4793864

    Name:
    2-(2-methylindolin-1-yl)-1-(1-piperidyl)ethanone

    Mol. Formula:
    C16H22N2O

    M.W.:
    258.37

    Type:
    Unknown

    AlogP:
    2.45

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
  13. ALA4560341

    Name:
    Bencycloquidium bromide

    Cas Number:
    860804-18-8

    Mol. Formula:
    C21H32BrNO2

    M.W.:
    410.40

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  14. ALA4855467

    Name:
    N-(4-(6-(((3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-y
    Show More

    Mol. Formula:
    C25H33N5O2

    M.W.:
    435.57

    Type:
    Unknown

    AlogP:
    3.65

    Polar Surface Area:
    79.38

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  15. ALA4854289

    Name:
    (3aR,5s,6aS)-N-(6-(3-fluorophenyl)pyridazin-3-yl)-
    Show More

    Mol. Formula:
    C23H29FN4O

    M.W.:
    396.51

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  16. ALA4852133

    Name:
    (S)-N-acetyl-6-amino-2-((S)-4-guanidino-2-(propyla
    Show More

    Mol. Formula:
    C20H35F6N7O7

    M.W.:
    599.53

    Type:
    Unknown

    AlogP:
    -1.50

    Polar Surface Area:
    175.22

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA4851711

    Name:
    (3aR,5s,6aS)-N-(6-(2-fluorophenyl)pyridazin-3-yl)-
    Show More

    Mol. Formula:
    C23H29FN4O

    M.W.:
    396.51

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  18. ALA4092094

    Name:
    5,5'-(2,2'-(Piperazine-1,4-diyl)bis(acetyl))bis(5,
    Show More

    Mol. Formula:
    C38H32F6N6O8

    M.W.:
    814.70

    Type:
    Small molecule

    AlogP:
    4.47

    Polar Surface Area:
    105.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  19. ALA4089543

    Name:
    5-[(2,3-ditritiopropanoylamino)methyl]-N1,N3-bis[2
    Show More

    Mol. Formula:
    C84H95F12N15O17

    M.W.:
    1818.76

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4475862

    Name:
    (4-(4-(3-chlorophenylsulfonyl)benzyl)-1,4'-bipiper
    Show More

    Mol. Formula:
    C31H35ClN2O3S

    M.W.:
    551.15

    Type:
    Unknown

    AlogP:
    6.04

    Polar Surface Area:
    57.69

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
Page
per page