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

Items 1-20 of 1,064

Set Ascending Direction
Select all
  1. ALA4476379

    Name:
    N-decyl-3-hydroxyquinuclidinium bromide

    Mol. Formula:
    C17H34BrNO

    M.W.:
    348.37

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA4529604

    Name:
    3-(4-chlorophenyl)-1-(6-methylbenzo[d]thiazol-2-yl
    Show More

    Mol. Formula:
    C24H14ClN3OS

    M.W.:
    427.92

    Type:
    Unknown

    AlogP:
    6.32

    Polar Surface Area:
    47.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  3. ALA4549547

    Name:
    ethyl 2-(5,6-diethylthieno[2,3-d]pyrimidin-4-ylthi
    Show More

    Mol. Formula:
    C14H18N2O2S2

    M.W.:
    310.44

    Type:
    Unknown

    AlogP:
    3.47

    Polar Surface Area:
    52.08

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA5282721

    Name:
    7-amino-5-(3-chlorophenyl)-6-cyano-2-[(4-methoxyph
    Show More

    Mol. Formula:
    C27H20ClN7O2

    M.W.:
    509.96

    Type:
    ---

    AlogP:
    5.51

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA5281943

    Name:
    5-amino-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-(me
    Show More

    Mol. Formula:
    C20H15N7S2

    M.W.:
    417.52

    Type:
    ---

    AlogP:
    4.19

    Polar Surface Area:
    97.82

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. ALA5281340

    Name:
    3'-(4-fluorobenzoyl)-5'-isobutyl-4'-phenylspiro[in
    Show More

    Mol. Formula:
    C28H27FN2O2

    M.W.:
    442.53

    Type:
    ---

    AlogP:
    5.27

    Polar Surface Area:
    58.20

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA5279637

    Name:
    (3Z,5E,8S,9E,11Z,14S,16R,17E,24R)-14,16-dihydroxy-
    Show More

    Mol. Formula:
    C30H46O10

    M.W.:
    566.69

    Type:
    ---

    AlogP:
    1.74

    Polar Surface Area:
    166.14

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA5279385

    Name:
    (3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14-hydroxy-1
    Show More

    Mol. Formula:
    C31H46O10

    M.W.:
    578.70

    Type:
    ---

    AlogP:
    2.17

    Polar Surface Area:
    155.14

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. ALA5278740

    Name:
    1-((2-(naphthalen-1-yl)-2-phenylhydrazinyl)(phenyl
    Show More

    Mol. Formula:
    C47H40N4O3

    M.W.:
    708.86

    Type:
    ---

    AlogP:
    10.95

    Polar Surface Area:
    60.78

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. ALA5287178

    Name:
    3-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-(methylsulf
    Show More

    Mol. Formula:
    C22H16N6OS

    M.W.:
    412.48

    Type:
    ---

    AlogP:
    3.84

    Polar Surface Area:
    91.77

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA5287057

    Name:
    1-benzhydryl-3-(2-ethylphenyl)benzimidazole-2-selo
    Show More

    Mol. Formula:
    C28H24N2Se

    M.W.:
    467.47

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5285918

    Name:

    Mol. Formula:
    C14H10N4O2S2

    M.W.:
    330.39

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    84.25

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA5291105

    Name:
    8-((3-bromobenzyl)oxy)quinoline

    Mol. Formula:
    C16H12BrNO

    M.W.:
    314.18

    Type:
    ---

    AlogP:
    4.58

    Polar Surface Area:
    22.12

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  14. ALA5290738

    Name:
    4'-(4-chlorophenyl)-3'-(4-fluorobenzoyl)-5'-isobut
    Show More

    Mol. Formula:
    C28H26ClFN2O2

    M.W.:
    476.98

    Type:
    ---

    AlogP:
    5.93

    Polar Surface Area:
    58.20

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA5290415

    Name:
    (3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydr
    Show More

    Mol. Formula:
    C30H44O10

    M.W.:
    564.67

    Type:
    ---

    AlogP:
    1.52

    Polar Surface Area:
    166.14

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  16. ALA5289787

    Name:
    Pyranosyl Nikkomycin C

    Mol. Formula:
    C22H28N4O10

    M.W.:
    508.48

    Type:
    ---

    AlogP:
    -2.48

    Polar Surface Area:
    237.43

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  17. ALA4461573

    Name:
    Ethyl 7-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl
    Show More

    Mol. Formula:
    C22H18FN3O5

    M.W.:
    423.40

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    96.45

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA4460383

    Name:
    N-dodecyl-3-hydroxyquinuclidinium bromide

    Mol. Formula:
    C19H38BrNO

    M.W.:
    376.42

    Type:
    Unknown

    AlogP:
    4.51

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  19. ALA3984350

    Name:
    2-({3-[5-(4-Chlorophenyl)-2H-tetrazol-2-yl]propyl}
    Show More

    Mol. Formula:
    C17H14ClN5S2

    M.W.:
    387.92

    Type:
    Small molecule

    AlogP:
    4.79

    Polar Surface Area:
    56.49

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  20. ALA4644128

    Name:
    1-[2-[4,5-dimethyl-2-(2-thienyl)imidazol-1-yl]ethy
    Show More

    Mol. Formula:
    C15H22N4S

    M.W.:
    290.44

    Type:
    Unknown

    AlogP:
    2.13

    Polar Surface Area:
    33.09

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
Page
per page