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

15 Items

Set Ascending Direction
Select all
  1. ALA2368572

    Name:
    Phillyraeoidin A

    Mol. Formula:
    C82H60O51

    M.W.:
    1861.33

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA607711

    Name:
    Vescalagin

    Mol. Formula:
    C41H26O26

    M.W.:
    934.63

    Type:
    Small molecule

    AlogP:
    1.32

    Polar Surface Area:
    455.18

    HBA:
    26

    HBD:
    16

    #RO5 Violations:
    3

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  3. ALA508660

    Name:
    Mongolicain A

    Mol. Formula:
    C55H36O30

    M.W.:
    1176.86

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA510581

    Name:
    Castanopsiniin A

    Mol. Formula:
    C44H54O14

    M.W.:
    806.90

    Type:
    Small molecule

    AlogP:
    6.09

    Polar Surface Area:
    251.74

    HBA:
    13

    HBD:
    9

    #RO5 Violations:
    4

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA448857

    Name:
    Castanopsinin A

    Mol. Formula:
    C50H64O19

    M.W.:
    969.04

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    330.89

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA506427

    Name:
    Grandinin

    Mol. Formula:
    C46H34O30

    M.W.:
    1066.75

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA506600

    Name:
    Sanguiin H-2

    Mol. Formula:
    C48H34O30

    M.W.:
    1090.77

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA451935

    Name:
    Elaeocarpusin

    Mol. Formula:
    C48H36O31

    M.W.:
    1108.79

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA504212

    Name:
    Strictinin

    Mol. Formula:
    C27H22O18

    M.W.:
    634.46

    Type:
    Small molecule

    AlogP:
    -0.30

    Polar Surface Area:
    310.66

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  10. ALA483230

    Name:
    4,5-di-O-galloylquinic acid

    Mol. Formula:
    C21H20O14

    M.W.:
    496.38

    Type:
    Small molecule

    AlogP:
    -0.36

    Polar Surface Area:
    251.74

    HBA:
    13

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA449947

    Name:
    1,2,3,6-tetra-O-galloyl-beta-D-glucose

    Mol. Formula:
    C34H28O22

    M.W.:
    788.58

    Type:
    Small molecule

    AlogP:
    0.70

    Polar Surface Area:
    377.42

    HBA:
    22

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  12. ALA450636

    Name:
    1,4,6-tri-O-galloyl-beta-D-glucose

    Mol. Formula:
    C27H24O18

    M.W.:
    636.47

    Type:
    Small molecule

    AlogP:
    -0.28

    Polar Surface Area:
    310.66

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA465552

    Name:
    amorphigenin

    Mol. Formula:
    C23H22O7

    M.W.:
    410.42

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    83.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  14. ALA503154

    Name:
    Acutissimin A

    Mol. Formula:
    C56H38O31

    M.W.:
    1206.89

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. succinylcholine

    Name:
    N,N,N-trimethyl-2-({4-oxo-4-[2-(trimethylammonio)ethoxy]butanoyl}oxy)ethanaShow More

    Mol. Formula:
    C14H30N2O4+2

    M.W.:
    290.40

    Type:
    Small molecule

    AlogP:
    0.27

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
per page