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  1. ALA506286

    Name:
    bastadin 19

    Mol. Formula:
    C34H27Br5N4O8

    M.W.:
    1019.13

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA504851

    Name:
    Bastadin-10

    Mol. Formula:
    C34H28Br4N4O9

    M.W.:
    956.23

    Type:
    Small molecule

    AlogP:
    7.00

    Polar Surface Area:
    202.53

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    4

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  3. ALA508830

    Name:
    Bastadin-19

    Mol. Formula:
    C34H27Br5N4O8

    M.W.:
    1019.13

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA505907

    Name:
    bastadin-6

    Mol. Formula:
    C34H26Br6N4O8

    M.W.:
    1098.03

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA76842

    Name:
    10-epi-4-azidobenzoylhydrazide-Ryanodine

    Mol. Formula:
    C32H40N6O9

    M.W.:
    652.70

    Type:
    Small molecule

    AlogP:
    1.70

    Polar Surface Area:
    242.36

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA265976

    Name:
    10-epi-benzamide-Ryanodine

    Mol. Formula:
    C32H40N2O9

    M.W.:
    596.68

    Type:
    Small molecule

    AlogP:
    1.25

    Polar Surface Area:
    181.57

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  7. ALA74262

    Name:
    (delta 8)10-oxo-dehydroryanodine

    Mol. Formula:
    C25H31NO9

    M.W.:
    489.52

    Type:
    Small molecule

    AlogP:
    -0.20

    Polar Surface Area:
    169.54

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA307222

    Name:
    10-oxo-Ryanodine

    Mol. Formula:
    C25H33NO9

    M.W.:
    491.54

    Type:
    Small molecule

    AlogP:
    0.02

    Polar Surface Area:
    169.54

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA308132

    Name:
    10-epi-hydroxyamine-Ryanodine

    Mol. Formula:
    C25H36N2O9

    M.W.:
    508.57

    Type:
    Small molecule

    AlogP:
    -0.20

    Polar Surface Area:
    184.73

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  10. ALA419829

    Name:
    10-oxime-Ryanodine

    Mol. Formula:
    C25H34N2O9

    M.W.:
    506.55

    Type:
    Small molecule

    AlogP:
    0.28

    Polar Surface Area:
    185.06

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
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