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

Items 1-20 of 836

Set Ascending Direction
Select all
  1. ALA5278443

    Name:
    (4S,7S,13S,16S,19S,22S)-4-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoylShow More

    Mol. Formula:
    C73H123N19O19

    M.W.:
    1570.90

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5288359

    Name:
    1-[4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonyl]-1,2,3,4-tetrahydroquinoShow More

    Mol. Formula:
    C24H22ClNO5S

    M.W.:
    471.96

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    83.91

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  3. ALA5197430

    Name:
    (S)-2-((2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy)carbonyShow More

    Mol. Formula:
    C21H17NO12

    M.W.:
    475.36

    Type:
    ---

    AlogP:
    1.69

    Polar Surface Area:
    224.06

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA5092439

    Name:
    N-(2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)ethyl)-3-(2-(3,4-dihydroShow More

    Mol. Formula:
    C30H27F6N3O5S3

    M.W.:
    719.75

    Type:
    Unknown

    AlogP:
    8.04

    Polar Surface Area:
    119.92

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  5. ALA5091070

    Name:
    N-(2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)ethyl)-5-(2-(3,4-dihydroShow More

    Mol. Formula:
    C27H21F6N3O5S3

    M.W.:
    677.67

    Type:
    Unknown

    AlogP:
    6.92

    Polar Surface Area:
    119.92

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  6. ALA5080325

    Name:
    N-(2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)ethyl)-4-(2-(3,4-dihydroxyphShow More

    Mol. Formula:
    C27H21F6N3O6S2

    M.W.:
    661.60

    Type:
    Unknown

    AlogP:
    6.76

    Polar Surface Area:
    136.99

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA5079843

    Name:
    N-(2-(3-(3,5-Dichlorophenyl)ureido)ethyl)-5-(2-(3,4-dihydroxyphenoxy)phenylShow More

    Mol. Formula:
    C25H21Cl2N3O6S2

    M.W.:
    594.50

    Type:
    Unknown

    AlogP:
    6.03

    Polar Surface Area:
    136.99

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  8. ALA5079372

    Name:
    N-(2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)ethyl)-5-(2-(3,4-dihydroxyphShow More

    Mol. Formula:
    C27H21F6N3O6S2

    M.W.:
    661.60

    Type:
    Unknown

    AlogP:
    6.76

    Polar Surface Area:
    136.99

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  9. ALA5078562

    Name:
    N-(2-(3-(3,5-Dichlorophenyl)ureido)ethyl)-4-(2-(3,4-dihydroxyphenoxy)phenylShow More

    Mol. Formula:
    C25H21Cl2N3O6S2

    M.W.:
    594.50

    Type:
    Unknown

    AlogP:
    6.03

    Polar Surface Area:
    136.99

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  10. ALA5078508

    Name:
    N-(2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)ethyl)-4-(2-(3,4-dihydroShow More

    Mol. Formula:
    C27H21F6N3O5S3

    M.W.:
    677.67

    Type:
    Unknown

    AlogP:
    6.92

    Polar Surface Area:
    119.92

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  11. ALA4872248

    Name:
    1-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)-4-((4-methoxyphenyl)sulfonyl)-3,Show More

    Mol. Formula:
    C25H28ClNO6S

    M.W.:
    506.02

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA4871228

    Name:
    N-[2-[6-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-Show More

    Mol. Formula:
    C45H51ClN10O9S2

    M.W.:
    975.55

    Type:
    Unknown

    AlogP:
    3.03

    Polar Surface Area:
    271.04

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  13. ALA4866213

    Name:
    1-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)-3,5-dimethyl-4-(thiophen-2-ylsulShow More

    Mol. Formula:
    C22H24ClNO5S2

    M.W.:
    482.02

    Type:
    Unknown

    AlogP:
    5.44

    Polar Surface Area:
    85.60

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  14. ALA4848900

    Name:
    4-((4-Bromophenyl)sulfonyl)-1-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-3,5-Show More

    Mol. Formula:
    C24H25BrClNO5S

    M.W.:
    554.89

    Type:
    Unknown

    AlogP:
    6.14

    Polar Surface Area:
    85.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  15. ALA4848433

    Name:
    1-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)-4-((4-ethylphenyl)sulfonyl)-3,5-Show More

    Mol. Formula:
    C26H30ClNO5S

    M.W.:
    504.05

    Type:
    Unknown

    AlogP:
    5.94

    Polar Surface Area:
    85.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  16. ALA4762875

    Name:
    6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-Show More

    Mol. Formula:
    C39H40N6O4S

    M.W.:
    688.85

    Type:
    Unknown

    AlogP:
    7.36

    Polar Surface Area:
    122.47

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  17. ALA4749218

    Name:
    4-(4,4-dimethyl-1-piperidyl)benzenecarbothioic S-acid

    Mol. Formula:
    C14H19NOS

    M.W.:
    249.38

    Type:
    Unknown

    AlogP:
    3.38

    Polar Surface Area:
    20.31

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  18. ALA4747123

    Name:
    N-diazo-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

    Mol. Formula:
    C14H13N5O4S2

    M.W.:
    379.42

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    138.07

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  19. ALA4649510

    Name:
    (+)-4-(4-methylpent-3-enyl)-6-phenyl-cyclohex-3-ene-1-carboxamide

    Mol. Formula:
    C19H25NO

    M.W.:
    283.42

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    43.09

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA4648756

    Name:
    (-)-4-[[4-(4-methylpent-3-enyl)-6-phenyl-cyclohex-3-ene-1-carbonyl]amino]beShow More

    Mol. Formula:
    C26H29NO3

    M.W.:
    403.52

    Type:
    Unknown

    AlogP:
    6.19

    Polar Surface Area:
    66.40

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
Page
per page