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

8 Items

Set Ascending Direction
Select all
  1. ALA1908070

    Name:
    Phenyltrihydroxyfluorone

    Mol. Formula:
    C19H14O5

    M.W.:
    322.32

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA1908067

    Name:
    Methylbiphenyl-C4-imidazole

    Mol. Formula:
    C16H14N2

    M.W.:
    234.30

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    28.68

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA1908066

    Name:
    Methylbiphenyl-1,2,4-triazole

    Mol. Formula:
    C15H13N3

    M.W.:
    235.29

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    37.08

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA1908065

    Name:
    Methylbiphenyl-1,2,3-Triazole

    Mol. Formula:
    C15H13N3

    M.W.:
    235.29

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    41.57

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  5. 5-[2-(4-Methylbiphenyl)]Tetrazole

    Name:
    Methylbiphenyl Tetrazole

    Mol. Formula:
    C14H12N4

    M.W.:
    236.28

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    54.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  6. ALA1907989

    Name:
    Benzo[a]pyrene-3,6-quinol

    Mol. Formula:
    C20H12O2

    M.W.:
    284.31

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA1908013

    Name:
    4,5-Dihydroxybenzo[a]pyrene

    Mol. Formula:
    C20H12O2

    M.W.:
    284.31

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. 4-Quinolinol

    Name:
    4-Hydroxyquinoline

    Mol. Formula:
    C9H7NO

    M.W.:
    145.16

    Type:
    Small molecule

    AlogP:
    1.94

    Polar Surface Area:
    33.12

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.61

    DETAILS
per page