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  1. ALA439151

    Name:
    bastadin 5

    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. ALA213687

    Name:
    (+/-)-17-amino-5-bromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecShow More

    Mol. Formula:
    C17H17BrN2O3

    M.W.:
    377.24

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    84.58

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA386432

    Name:
    (+/-)-5-bromo-4-hydroxy-17-nitro-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecShow More

    Mol. Formula:
    C17H15BrN2O5

    M.W.:
    407.22

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    101.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA377812

    Name:
    S-2-azido-5-iodo-N-[4-(5,20,22-tribromo-4-hydroxy-11,15-dioxo-2-oxa-10,14-dShow More

    Mol. Formula:
    C31H30Br3IN6O5

    M.W.:
    933.23

    Type:
    Small molecule

    AlogP:
    8.10

    Polar Surface Area:
    165.52

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  5. ALA377741

    Name:
    S-2-azido-N-[4-(5,20-dibromo-4-hydroxy-11,15-dioxo-2-oxa-10,14-diaza-tricycShow More

    Mol. Formula:
    C31H31Br2IN6O5

    M.W.:
    854.34

    Type:
    Small molecule

    AlogP:
    7.34

    Polar Surface Area:
    165.52

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  6. ALA209427

    Name:
    21-azido-4-hydroxy-5-bromo-2-oxa-10,14-diaza-tricyclo-[16.2.2.10,0]tricosa-Show More

    Mol. Formula:
    C20H20BrN5O4

    M.W.:
    474.32

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    136.42

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA212154

    Name:
    21-amino-4-hydroxy-5-bromo-2-oxa-10,14-diaza-tricyclo-[16.2.2.10,0]tricosa-Show More

    Mol. Formula:
    C20H22BrN3O4

    M.W.:
    448.32

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    113.68

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. ALA376941

    Name:
    5-bromo-4-hydroxy-20-nitro-2-oxa-10,14-diaza-tricyclo-[16.2.2.10,0]tricosa-Show More

    Mol. Formula:
    C20H20BrN3O6

    M.W.:
    478.30

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    130.80

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA378025

    Name:
    (+/-)-5-bromo-4-hydroxy-17-iodo-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecaShow More

    Mol. Formula:
    C17H15BrINO3

    M.W.:
    488.12

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA210076

    Name:
    (+/-)-5-bromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]nonadeca-1(17),3(Show More

    Mol. Formula:
    C17H16BrNO3

    M.W.:
    362.22

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  11. ALA380242

    Name:
    (+/-)-5,15,17-tribromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadecShow More

    Mol. Formula:
    C17H14Br3NO3

    M.W.:
    520.01

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  12. ALA386905

    Name:
    (+/-)-5,17-dibromo-4-hydroxy-2-oxa-10-aza-tricyclo[12.2.2.10,0]-nonadeca-1(Show More

    Mol. Formula:
    C17H15Br2NO3

    M.W.:
    441.12

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA377464

    Name:
    methyl 2-azido-5-iodobenzoate

    Mol. Formula:
    C8H6IN3O2

    M.W.:
    303.06

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    75.06

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
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