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

Items 1-20 of 35

Set Ascending Direction
Select all
  1. ALA4472586

    Name:
    (4aR,6aR,6bS,8aR,12aS,14aS,14bS)-methyl 11-cyano-2
    Show More

    Mol. Formula:
    C31H41NO4

    M.W.:
    491.67

    Type:
    Unknown

    AlogP:
    5.99

    Polar Surface Area:
    84.23

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4543157

    Name:
    6-((2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,
    Show More

    Mol. Formula:
    C35H50N2O6

    M.W.:
    594.79

    Type:
    Unknown

    AlogP:
    7.50

    Polar Surface Area:
    118.77

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. ALA2349191

    Name:
    2-[(9-Isopropyl-2-piperazin-1-yl-9H-purin-6-ylamin
    Show More

    Mol. Formula:
    C20H27N7O2

    M.W.:
    397.48

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    100.36

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA2349190

    Name:
    2-{[2-((S)-1-Hydroxymethylpropylamino)-9-isopropyl
    Show More

    Mol. Formula:
    C20H28N6O3

    M.W.:
    400.48

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    117.35

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA2349189

    Name:
    2-{[2-((R)-1-Hydroxymethylpropylamino)-9-isopropyl
    Show More

    Mol. Formula:
    C20H28N6O3

    M.W.:
    400.48

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    117.35

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA2349188

    Name:
    (R)-2-[6-(2,3-Dimethoxybenzylamino)-9-isopropyl-9H
    Show More

    Mol. Formula:
    C21H30N6O3

    M.W.:
    414.51

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    106.35

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA2347586

    Name:
    (9-Isopropyl-2-piperazin-1-yl-9H-purin-6-yl)-(4-me
    Show More

    Mol. Formula:
    C20H27N7O

    M.W.:
    381.48

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    80.13

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  8. ALA2347585

    Name:
    4-[(9-Isopropyl-2-piperazin-1-yl-9H-purin-6-ylamin
    Show More

    Mol. Formula:
    C19H25N7O

    M.W.:
    367.46

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    91.13

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  9. ALA2347579

    Name:
    (R)-2-[6-(4-Aminobenzylamino)-9-isopropyl-9H-purin
    Show More

    Mol. Formula:
    C19H27N7O

    M.W.:
    369.47

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    113.91

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA2069710

    Name:
    N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
    Show More

    Mol. Formula:
    C40H46N10O2

    M.W.:
    698.88

    Type:
    Small molecule

    AlogP:
    6.68

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  11. ALA2069707

    Name:
    N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
    Show More

    Mol. Formula:
    C40H46N10O2

    M.W.:
    698.88

    Type:
    Small molecule

    AlogP:
    6.68

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  12. ALA2069706

    Name:
    N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
    Show More

    Mol. Formula:
    C40H42N10O2

    M.W.:
    694.84

    Type:
    Small molecule

    AlogP:
    6.18

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  13. ALA2069620

    Name:
    N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
    Show More

    Mol. Formula:
    C38H38N10O2

    M.W.:
    666.79

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  14. ALA2069619

    Name:
    N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
    Show More

    Mol. Formula:
    C40H42N10O2

    M.W.:
    694.84

    Type:
    Small molecule

    AlogP:
    6.18

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  15. ALA1914530

    Name:
    5-(3-(3-fluorophenyl)-3-(1-((2-methyl-6-(4-(methyl
    Show More

    Mol. Formula:
    C32H34FN7O5S

    M.W.:
    647.73

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    159.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  16. ALA1914528

    Name:
    5-(3-(1-((6-(2-chloro-4-(methylsulfonamido)phenoxy
    Show More

    Mol. Formula:
    C32H33ClFN7O5S

    M.W.:
    682.18

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    159.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA1914527

    Name:
    5-(3-(3-fluorophenyl)-3-(1-((2-methyl-6-(2-methyl-
    Show More

    Mol. Formula:
    C33H36FN7O5S

    M.W.:
    661.76

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    159.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA1914526

    Name:
    5-(3-(1-((6-(2-fluoro-4-(methylsulfonamido)phenoxy
    Show More

    Mol. Formula:
    C32H33F2N7O5S

    M.W.:
    665.72

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    159.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  19. ALA570968

    Name:
    (S)-N-methyl-N-((5-(methyl(1-methylpiperidin-4-yl)
    Show More

    Mol. Formula:
    C25H34N6

    M.W.:
    418.59

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    39.91

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA585722

    Name:
    (S)-N-((5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyr
    Show More

    Mol. Formula:
    C24H32N6

    M.W.:
    404.56

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    39.91

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
Page
per page