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

7 Items

Set Ascending Direction
Select all
  1. ALA2089376

    Name:
    N-(4-aminobutyl)-N-(3-aminopropyl)-12-[(1'S,2S,3'R
    Show More

    Mol. Formula:
    C41H68N6O4

    M.W.:
    709.03

    Type:
    Small molecule

    AlogP:
    6.96

    Polar Surface Area:
    127.67

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  2. ALA2079504

    Name:
    1-methyl-7-nitro-4-(5-(piperidin-1-yl)pentyl)-3,4-
    Show More

    Mol. Formula:
    C19H28N4O3

    M.W.:
    360.46

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    69.93

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA1618197

    Name:
    Lemofloxacin

    Mol. Formula:
    C17H21F2N3O3

    M.W.:
    353.37

    Type:
    Small molecule

    AlogP:
    1.49

    Polar Surface Area:
    72.88

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  4. ALA493631

    Name:
    10-epi-tazoside

    Mol. Formula:
    C24H33NO11

    M.W.:
    511.52

    Type:
    Small molecule

    AlogP:
    -2.10

    Polar Surface Area:
    190.56

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA522195

    Name:
    10-epi-tazopsine

    Mol. Formula:
    C18H23NO6

    M.W.:
    349.38

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    111.41

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  6. ALA524026

    Name:
    sinococuline

    Cas Number:
    109351-36-2

    Mol. Formula:
    C18H23NO5

    M.W.:
    333.38

    Type:
    Small molecule

    AlogP:
    0.58

    Polar Surface Area:
    91.18

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  7. ALA493786

    Name:
    tazopsine

    Mol. Formula:
    C18H23NO6

    M.W.:
    349.38

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    111.41

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
per page