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  1. ALA2448167

    Name:
    5-(6-Amino-purin-9-yl)-2-methyl-tetrahydro-furan-3
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    Mol. Formula:
    C10H13N5O2

    M.W.:
    235.25

    Type:
    Small molecule

    AlogP:
    0.08

    Polar Surface Area:
    99.08

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  2. ALA2079579

    Name:
    5-(6-Amino-2-fluoro-purin-9-yl)-2-fluoromethyl-tet
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    Mol. Formula:
    C10H11F2N5O2

    M.W.:
    271.23

    Type:
    Small molecule

    AlogP:
    0.17

    Polar Surface Area:
    99.08

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA2079578

    Name:
    5-(6-Amino-2-fluoro-purin-9-yl)-2-methyl-tetrahydr
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    Mol. Formula:
    C10H12FN5O2

    M.W.:
    253.24

    Type:
    Small molecule

    AlogP:
    0.22

    Polar Surface Area:
    99.08

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. Type:
    Small molecule

    AlogP:
    -0.81

    Polar Surface Area:
    119.31

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ALA431950

    Name:
    (4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-
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    Mol. Formula:
    C27H25N3O2S

    M.W.:
    455.58

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    46.83

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  6. ALA61448

    Name:
    [6-Isothiocyanato-1-(2-morpholin-4-yl-ethyl)-1H-in
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    Mol. Formula:
    C26H23N3O2S

    M.W.:
    441.56

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    46.83

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA273222

    Name:
    N-{1-[2-(4-Isothiocyanato-phenyl)-ethyl]-3-methyl-
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    Mol. Formula:
    C24H29N3OS

    M.W.:
    407.58

    Type:
    Small molecule

    AlogP:
    5.12

    Polar Surface Area:
    35.91

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA274844

    Name:
    N-{1-[2-(4-Isothiocyanato-phenyl)-ethyl]-piperidin
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    Cas Number:
    85951-63-9

    Mol. Formula:
    C23H27N3OS

    M.W.:
    393.56

    Type:
    Small molecule

    AlogP:
    4.87

    Polar Surface Area:
    35.91

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
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