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12 Items

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  1. ALA2092819

    Name:
    {[({5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3
    Show More

    Mol. Formula:
    C11H18N5O12P3S2

    M.W.:
    569.34

    Type:
    Small molecule

    AlogP:
    -0.79

    Polar Surface Area:
    262.06

    HBA:
    15

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  2. ALA2092818

    Name:
    [({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-
    Show More

    Mol. Formula:
    C10H16N5O12P3S

    M.W.:
    523.25

    Type:
    Small molecule

    AlogP:
    -1.51

    Polar Surface Area:
    262.06

    HBA:
    14

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA2029001

    Name:
    pentakis(tributylamine) [(2R,3S,4R,5R)-5-(6-amino-
    Show More

    Mol. Formula:
    C80H165BN15O21P5

    M.W.:
    1838.97

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA2028999

    Name:
    [bis({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4
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    Mol. Formula:
    C56H109BN13O15P3

    M.W.:
    1308.30

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA2093075

    Name:
    {[({5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3
    Show More

    Mol. Formula:
    C11H18N5O12P3S2

    M.W.:
    569.34

    Type:
    Small molecule

    AlogP:
    -0.79

    Polar Surface Area:
    262.06

    HBA:
    15

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA2093074

    Name:
    [({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-
    Show More

    Mol. Formula:
    C10H16N5O12P3S

    M.W.:
    523.25

    Type:
    Small molecule

    AlogP:
    -1.51

    Polar Surface Area:
    262.06

    HBA:
    14

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA2386493

    Name:
    (Rp)-[[(2R,3S,4R,5R)-5-(6-amino-2-chloro-purin-9-y
    Show More

    Mol. Formula:
    C10H16BClN5O12P3

    M.W.:
    537.45

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA2364572

    Name:
    {[({5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3
    Show More

    Mol. Formula:
    C11H19BN5O12P3S

    M.W.:
    549.10

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA2181943

    Name:
    alpha-borano-2-MeS-ATP

    Mol. Formula:
    C11H17BN5Na4O12P3S

    M.W.:
    639.04

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA610595

    Name:
    [({[5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydro
    Show More

    Mol. Formula:
    C10H18BClN5O12P3

    M.W.:
    539.46

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA611086

    Name:
    [({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-
    Show More

    Mol. Formula:
    C10H19BN5O12P3

    M.W.:
    505.02

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. Type:
    Small molecule

    AlogP:
    -2.56

    Polar Surface Area:
    387.44

    HBA:
    23

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
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