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  1. 2′,3′-Dideoxy-5-iodouridine

    Name:
    4-Hydroxy-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidin-2-oShow More

    Mol. Formula:
    C9H11IN2O4

    M.W.:
    338.10

    Type:
    Small molecule

    AlogP:
    -0.19

    Polar Surface Area:
    84.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  2. ALA2112134

    Name:
    5-(2-Bromo-vinyl)-4-hydroxy-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyShow More

    Mol. Formula:
    C11H13BrN2O4

    M.W.:
    317.14

    Type:
    Small molecule

    AlogP:
    0.57

    Polar Surface Area:
    84.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  3. ALA1791033

    Name:
    1-(4-Amino-5-aminomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-Show More

    Mol. Formula:
    C10H16N4O3

    M.W.:
    240.26

    Type:
    Small molecule

    AlogP:
    -1.58

    Polar Surface Area:
    116.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA1791026

    Name:
    1-(4-Azido-5-azidomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-Show More

    Mol. Formula:
    C10H12N8O3

    M.W.:
    292.26

    Type:
    Small molecule

    AlogP:
    1.12

    Polar Surface Area:
    161.61

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA1791025

    Name:
    1-(4-Amino-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-trifluoromethyl-1H-pyriShow More

    Mol. Formula:
    C10H12F3N3O4

    M.W.:
    295.22

    Type:
    Small molecule

    AlogP:
    -0.84

    Polar Surface Area:
    110.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. ALA1627268

    Name:
    (Tridecane-1-aminosulfonylmethyl)-benzene

    Mol. Formula:
    C20H35NOS

    M.W.:
    337.57

    Type:
    Small molecule

    AlogP:
    6.54

    Polar Surface Area:
    46.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA1627198

    Name:
    1-(S-methylsulfonimidoyl)tridecane

    Mol. Formula:
    C14H31NOS

    M.W.:
    261.47

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    46.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA1627197

    Name:
    1-(Propane-1-aminosulfonyl)-tridecane

    Mol. Formula:
    C16H35NOS

    M.W.:
    289.53

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    46.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA1627196

    Name:
    (Tridecane-1-aminosulfonyl)-acetic acidethyl ester

    Mol. Formula:
    C17H35NO3S

    M.W.:
    333.54

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    73.21

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. 2′,3′-Dideoxyuridine

    Name:
    4-Hydroxy-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one

    Mol. Formula:
    C9H12N2O4

    M.W.:
    212.21

    Type:
    Small molecule

    AlogP:
    -0.79

    Polar Surface Area:
    84.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA230758

    Name:
    5-Bromo-4-hydroxy-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-Show More

    Mol. Formula:
    C9H11BrN2O4

    M.W.:
    291.10

    Type:
    Small molecule

    AlogP:
    -0.03

    Polar Surface Area:
    84.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  12. 2',3'-Didehydro-2',3'-dideoxyuridine

    Name:
    1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C9H10N2O4

    M.W.:
    210.19

    Type:
    Small molecule

    AlogP:
    -1.02

    Polar Surface Area:
    84.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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