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  1. ALA3350536

    Name:
    Adenine nucleotide analogue

    Mol. Formula:
    C14H23IN7O14P3

    M.W.:
    733.20

    Type:
    Small molecule

    AlogP:
    -1.67

    Polar Surface Area:
    320.26

    HBA:
    16

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  2. ALA3350535

    Name:
    Adenine nucleotide analogue

    Mol. Formula:
    C16H27IN7O14P3

    M.W.:
    761.25

    Type:
    Small molecule

    AlogP:
    -0.89

    Polar Surface Area:
    320.26

    HBA:
    16

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  3. ALA3350526

    Name:
    N-{8-[9-(3,4-Dihydroxy-5-(oxytriphosphate)-tetrahydro-furan-2-yl)-9H-purin-Show More

    Mol. Formula:
    C20H35N6O14P3

    M.W.:
    676.45

    Type:
    Small molecule

    AlogP:
    0.68

    Polar Surface Area:
    294.24

    HBA:
    15

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  4. ALA607923

    Name:
    P1-(adenosine-5')-P3-(glucose-6)tetraphosphate

    Mol. Formula:
    C16H27N5O21P4

    M.W.:
    749.30

    Type:
    Small molecule

    AlogP:
    -3.69

    Polar Surface Area:
    404.81

    HBA:
    22

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA609929

    Name:
    P1-(adenosine-5')-P3-(glucose-6)triphosphate

    Mol. Formula:
    C16H26N5O18P3

    M.W.:
    669.32

    Type:
    Small molecule

    AlogP:
    -3.80

    Polar Surface Area:
    358.28

    HBA:
    20

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
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