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

Items 1-20 of 34

Set Ascending Direction
Select all
  1. ALA3746235

    Name:
    1,2,3,3a,4,5-hexahydrocanthin-6-one

    Cas Number:
    26400-25-9

    Mol. Formula:
    C14H14N2O

    M.W.:
    226.28

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    34.03

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.75

    DETAILS
  2. ALA4241068

    Name:
    (S)-prop-2-yn-1-yl 5-oxopyrrolidine-2-carboxylate

    Mol. Formula:
    C8H9NO3

    M.W.:
    167.16

    Type:
    Small molecule

    AlogP:
    -0.56

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.44

    DETAILS
  3. ALA2272613

    Name:
    methyl 3-hydroxybenzoate

    Cas Number:
    19438-10-9

    Mol. Formula:
    C8H8O3

    M.W.:
    152.15

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.61

    DETAILS
  4. ALA2271362

    Name:
    Nonyl 4-hydroxybenzoate

    Cas Number:
    38713-56-3

    Mol. Formula:
    C16H24O3

    M.W.:
    264.36

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  5. ALA2252877

    Name:
    2-chloro-N-(4-chloro-2-(2-(2-chlorobenzylidene)hyd
    Show More

    Mol. Formula:
    C21H15Cl3N4O2

    M.W.:
    461.74

    Type:
    Small molecule

    AlogP:
    5.37

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA2252876

    Name:
    2-chloro-N-(4-chloro-2-methyl-6-(2-propylidenehydr
    Show More

    Mol. Formula:
    C17H16Cl2N4O2

    M.W.:
    379.25

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA2252875

    Name:
    2-chloro-N-(4-chloro-2-(2-(2,4-dimethoxybenzyliden
    Show More

    Mol. Formula:
    C23H20Cl2N4O4

    M.W.:
    487.34

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    101.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA2252874

    Name:
    2-chloro-N-(4-chloro-2-(2-(2,5-dimethoxybenzyliden
    Show More

    Mol. Formula:
    C23H20Cl2N4O4

    M.W.:
    487.34

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    101.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA2252873

    Name:
    2-chloro-N-(4-chloro-2-(2-(2,3-dimethoxybenzyliden
    Show More

    Mol. Formula:
    C23H20Cl2N4O4

    M.W.:
    487.34

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    101.91

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA2252872

    Name:
    2-chloro-N-(4-chloro-2-(2-(3,4-dichlorobenzylidene
    Show More

    Mol. Formula:
    C21H14Cl4N4O2

    M.W.:
    496.18

    Type:
    Small molecule

    AlogP:
    6.02

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA2252871

    Name:
    2-chloro-N-(4-chloro-2-(2-((dimethylamino)methylen
    Show More

    Mol. Formula:
    C17H17Cl2N5O2

    M.W.:
    394.26

    Type:
    Small molecule

    AlogP:
    3.18

    Polar Surface Area:
    86.69

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  12. ALA2252870

    Name:
    N-(2-(2-(4-tert-butylbenzylidene)hydrazinecarbonyl
    Show More

    Mol. Formula:
    C25H24Cl2N4O2

    M.W.:
    483.40

    Type:
    Small molecule

    AlogP:
    6.01

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  13. ALA2252869

    Name:
    2-chloro-N-(4-chloro-2-methyl-6-(2-(3-(trifluorome
    Show More

    Mol. Formula:
    C22H15Cl2F3N4O2

    M.W.:
    495.29

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. ALA2252868

    Name:
    2-chloro-N-(4-chloro-2-(2-(2,6-dichlorobenzylidene
    Show More

    Mol. Formula:
    C21H14Cl4N4O2

    M.W.:
    496.18

    Type:
    Small molecule

    AlogP:
    6.02

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  15. ALA2252867

    Name:
    2-chloro-N-(4-chloro-2-(2-(4-fluorobenzylidene)hyd
    Show More

    Mol. Formula:
    C21H15Cl2FN4O2

    M.W.:
    445.28

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    83.45

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA2229103

    Name:
    7-O-malonyl Macrolactin A

    Mol. Formula:
    C27H36O8

    M.W.:
    488.58

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    130.36

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  17. ALA2228975

    Name:
    2-(4-chlorobenzyl)-5-(ethylsulfonyl)-1,3,4-oxadiaz
    Show More

    Mol. Formula:
    C11H11ClN2O3S

    M.W.:
    286.74

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  18. ALA2228974

    Name:
    2-(4-chlorobenzyl)-5-(methylsulfonyl)-1,3,4-oxadia
    Show More

    Mol. Formula:
    C10H9ClN2O3S

    M.W.:
    272.71

    Type:
    Small molecule

    AlogP:
    1.72

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  19. ALA2228973

    Name:
    2-(3,4-difluorophenyl)-5-(ethylsulfonyl)-1,3,4-oxa
    Show More

    Mol. Formula:
    C10H8F2N2O3S

    M.W.:
    274.25

    Type:
    Small molecule

    AlogP:
    1.81

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  20. ALA2228972

    Name:
    2-(3,4-difluorophenyl)-5-(methylsulfonyl)-1,3,4-ox
    Show More

    Mol. Formula:
    C9H6F2N2O3S

    M.W.:
    260.22

    Type:
    Small molecule

    AlogP:
    1.42

    Polar Surface Area:
    73.06

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
Page
per page