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

7 Items

Set Ascending Direction
Select all
  1. ALA4215877

    Name:
    Wilforgine

    Mol. Formula:
    C41H47NO19

    M.W.:
    857.81

    Type:
    Small molecule

    AlogP:
    1.75

    Polar Surface Area:
    265.89

    HBA:
    20

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA4205236

    Name:
    Euonymine

    Mol. Formula:
    C38H47NO18

    M.W.:
    805.78

    Type:
    Small molecule

    AlogP:
    1.03

    Polar Surface Area:
    252.75

    HBA:
    19

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA3527528

    Name:
    NA

    Mol. Formula:

    M.W.:

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA3527413

    Name:
    (S)-2-amino-5-((R)-1-(carboxymethylamino)-1-oxo-3-(phenethylcarbamothioylthShow More

    Mol. Formula:
    C19H26N4O6S2

    M.W.:
    470.57

    Type:
    Small molecule

    AlogP:
    -0.29

    Polar Surface Area:
    170.85

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA3526822

    Name:
    (S)-2-amino-5-((R)-1-(carboxymethylamino)-1-oxo-3-(phenethylcarbamoylthio)pShow More

    Mol. Formula:
    C19H26N4O7S

    M.W.:
    454.51

    Type:
    Small molecule

    AlogP:
    -0.45

    Polar Surface Area:
    187.92

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. ALA3526440

    Name:
    [14C]-(2S,3S,4S,5R,6S)-6-(3-(3-ethoxy-1-(4-((2-phenylthiazol-4-yl)methoxy)bShow More

    Mol. Formula:
    C31H33N3O10S

    M.W.:
    639.68

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    182.69

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  7. Vortioxetine (Lu AA21004) HBr

    Name:
    VORTIOXETINE HYDROBROMIDE

    Mol. Formula:
    C18H23BrN2S

    M.W.:
    379.37

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    15.27

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
per page