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

Items 1-20 of 109

Set Ascending Direction
Select all
  1. ALA4547476

    Name:
    (Z)-3-(furan-2-ylmethyl)-2-thioxo-5-((5-(3-(triflu
    Show More

    Cas Number:
    608147-05-3

    Mol. Formula:
    C20H12F3NO3S2

    M.W.:
    435.45

    Type:
    Unknown

    AlogP:
    5.96

    Polar Surface Area:
    46.59

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  2. ALA4550132

    Name:
    5-(5-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(6H)
    Show More

    Mol. Formula:
    C19H13N3O5S

    M.W.:
    395.40

    Type:
    Unknown

    AlogP:
    1.48

    Polar Surface Area:
    108.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA4549399

    Name:
    5-((5-(2-bromo-4-methylphenyl)furan-2-yl)methylene
    Show More

    Mol. Formula:
    C16H11BrN2O4

    M.W.:
    375.18

    Type:
    Unknown

    AlogP:
    2.77

    Polar Surface Area:
    88.41

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA4525600

    Name:
    (E)-2-((2-bromo-4-((4-oxo-2-thioxothiazolidin-5-yl
    Show More

    Mol. Formula:
    C18H11BrN2O2S2

    M.W.:
    431.34

    Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    62.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. ALA4560898

    Name:
    (E)-5-(5-bromo-2-hydroxy-3-iodobenzylidene)-1-(3,4
    Show More

    Mol. Formula:
    C19H14BrIN2O3S

    M.W.:
    557.21

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    69.64

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  6. ALA4559949

    Name:
    N-(2-(6-(2,5-dimethoxyphenyl)imidazo[2,1-b]thiazol
    Show More

    Mol. Formula:
    C30H27N3O5S2

    M.W.:
    573.70

    Type:
    Unknown

    AlogP:
    6.26

    Polar Surface Area:
    86.28

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA4557880

    Name:
    azepan-1-yl(4-(4-bromophenyl)-3a,4,5,9b-tetrahydro
    Show More

    Mol. Formula:
    C25H27BrN2O

    M.W.:
    451.41

    Type:
    Unknown

    AlogP:
    6.29

    Polar Surface Area:
    32.34

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA4556653

    Name:
    2-(2-oxo-2-(4-phenylpiperazin-1-yl)ethylthio)-3-ph
    Show More

    Mol. Formula:
    C28H25N5O2S

    M.W.:
    495.61

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    74.23

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA4553529

    Name:
    5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-thio
    Show More

    Mol. Formula:
    C20H14N4O2S

    M.W.:
    374.43

    Type:
    Unknown

    AlogP:
    2.45

    Polar Surface Area:
    76.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA4551947

    Name:
    N-allyl-N-(2-(5-methylisoxazol-3-ylamino)-2-oxoeth
    Show More

    Mol. Formula:
    C14H21N3O3

    M.W.:
    279.34

    Type:
    Unknown

    AlogP:
    2.13

    Polar Surface Area:
    75.44

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. ALA4540810

    Name:
    (Z)-5-((5-(4-chloro-3-nitrophenyl)furan-2-yl)methy
    Show More

    Mol. Formula:
    C20H12ClN3O7

    M.W.:
    441.78

    Type:
    Unknown

    AlogP:
    3.76

    Polar Surface Area:
    135.90

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  12. ALA4540111

    Name:
    N-(1',2-dihydroxy-1,2'-binaphthyl-4'-yl)-4-fluorob
    Show More

    Mol. Formula:
    C26H18FNO4S

    M.W.:
    459.50

    Type:
    Unknown

    AlogP:
    6.01

    Polar Surface Area:
    86.63

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA4537793

    Name:
    3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl
    Show More

    Cas Number:
    575468-55-2

    Mol. Formula:
    C18H16N6S3

    M.W.:
    412.57

    Type:
    Unknown

    AlogP:
    4.65

    Polar Surface Area:
    89.61

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA4537027

    Name:
    N-(furan-2-ylmethyl)-N-(2-(6-(naphthalen-2-yl)imid
    Show More

    Mol. Formula:
    C29H22F3N3O3S2

    M.W.:
    581.64

    Type:
    Unknown

    AlogP:
    7.26

    Polar Surface Area:
    67.82

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  15. ALA4535110

    Name:
    (E)-1-(4-chlorophenyl)-5-((5-iodofuran-2-yl)methyl
    Show More

    Mol. Formula:
    C15H8ClIN2O3S

    M.W.:
    458.66

    Type:
    Unknown

    AlogP:
    3.37

    Polar Surface Area:
    62.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA4533014

    Name:
    N-(3,5-dichloro-4-hydroxyphenylcarbamothioyl)benzo
    Show More

    Mol. Formula:
    C16H10Cl2N2O3S

    M.W.:
    381.24

    Type:
    Unknown

    AlogP:
    4.57

    Polar Surface Area:
    74.50

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  17. ALA4532782

    Name:
    (E)-5-((1-(4-bromophenyl)-1H-pyrrol-2-yl)methylene
    Show More

    Mol. Formula:
    C22H16BrN3O3S

    M.W.:
    482.36

    Type:
    Unknown

    AlogP:
    4.08

    Polar Surface Area:
    63.57

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA4531807

    Name:
    (E)-1-ethyl-5-((1-methyl-1H-pyrrol-2-yl)methylene)
    Show More

    Mol. Formula:
    C12H13N3O2S

    M.W.:
    263.32

    Type:
    Unknown

    AlogP:
    0.67

    Polar Surface Area:
    54.34

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA4530378

    Name:
    2,6-di-tert-butyl-4-((4-methoxyphenyl)(morpholino)
    Show More

    Cas Number:
    5813-21-8

    Mol. Formula:
    C26H37NO3

    M.W.:
    411.59

    Type:
    Unknown

    AlogP:
    5.42

    Polar Surface Area:
    41.93

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  20. ALA4530054

    Name:
    2-((1R,2S,4aR)-1,2,4a,5,5-pentamethyldecahydronaph
    Show More

    Mol. Formula:
    C21H32O2

    M.W.:
    316.49

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
Page
per page