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  1. ALA4743365

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thlo)hexy
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    Mol. Formula:
    C22H23FN4O6S

    M.W.:
    490.51

    Type:
    Unknown

    AlogP:
    4.88

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  2. ALA4743025

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C22H23BrN4O6S

    M.W.:
    551.42

    Type:
    Unknown

    AlogP:
    5.51

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  3. ALA4742105

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
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    Mol. Formula:
    C22H31N5O7S

    M.W.:
    509.59

    Type:
    Unknown

    AlogP:
    2.56

    Polar Surface Area:
    149.93

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  4. ALA4764480

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
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    Mol. Formula:
    C20H29N5O6S

    M.W.:
    467.55

    Type:
    Unknown

    AlogP:
    2.78

    Polar Surface Area:
    140.70

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  5. ALA4763865

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
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    Mol. Formula:
    C24H28N4O8S

    M.W.:
    532.58

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    155.92

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA4763818

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
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    Mol. Formula:
    C20H26N4O7S

    M.W.:
    466.52

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    137.90

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  7. ALA4763351

    Name:
    [2,3-Dichloro-4-(2-methylene-butyryl)-phenoxy]-ace
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    Mol. Formula:
    C31H42Cl2O8

    M.W.:
    613.58

    Type:
    Unknown

    AlogP:
    6.10

    Polar Surface Area:
    89.52

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. ALA4762497

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol4-yl)thio)hexyl
    Show More

    Mol. Formula:
    C23H26N4O6S

    M.W.:
    486.55

    Type:
    Unknown

    AlogP:
    5.05

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  9. ALA4762005

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C22H23ClN4O6S

    M.W.:
    506.97

    Type:
    Unknown

    AlogP:
    5.40

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  10. ALA4760889

    Name:
    N-[2-(2-Adamantan-1-yl-acetylamino)-ethyl]-2-[2,3-
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    Mol. Formula:
    C27H34Cl2N2O4

    M.W.:
    521.49

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  11. ALA4759134

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C22H23ClN4O6S

    M.W.:
    506.97

    Type:
    Unknown

    AlogP:
    5.40

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  12. ALA4757438

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C21H31N5O6S

    M.W.:
    481.58

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    140.70

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  13. ALA4757338

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C23H26N4O6S

    M.W.:
    486.55

    Type:
    Unknown

    AlogP:
    5.05

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  14. ALA4757112

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadinzol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C23H23F3N4O6S

    M.W.:
    540.52

    Type:
    Unknown

    AlogP:
    5.76

    Polar Surface Area:
    137.46

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  15. ALA4777293

    Name:
    N-[6-(2-Adamantan-1-yl-acetylamino)-hexyl]-2-[2,3-
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    Mol. Formula:
    C31H42Cl2N2O4

    M.W.:
    577.59

    Type:
    Unknown

    AlogP:
    6.92

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA4777228

    Name:
    6-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexy
    Show More

    Mol. Formula:
    C23H26N4O7S

    M.W.:
    502.55

    Type:
    Unknown

    AlogP:
    4.75

    Polar Surface Area:
    146.69

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  17. ALA4783350

    Name:
    tert-butyl 6-(2-(2,3-dichloro-4-(2-methylenebutano
    Show More

    Mol. Formula:
    C24H34Cl2N2O5

    M.W.:
    501.45

    Type:
    Unknown

    AlogP:
    5.72

    Polar Surface Area:
    93.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA4783291

    Name:
    6-((7-Nitrobenzo[c][1,2,5.]oxadiazol-4-yl)thio)hex
    Show More

    Mol. Formula:
    C23H26N4O7S

    M.W.:
    502.55

    Type:
    Unknown

    AlogP:
    4.75

    Polar Surface Area:
    146.69

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  19. ALA4782565

    Name:
    N-Adamantan-1-yl-2-[2,3-dichloro-4-(2-methylene-bu
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    Mol. Formula:
    C23H27Cl2NO3

    M.W.:
    436.38

    Type:
    Unknown

    AlogP:
    5.61

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  20. ALA4753814

    Name:
    N-[4-(2-Adamantan-1-yl-acetylamino)-butyl]-2-[2,3-
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    Mol. Formula:
    C29H38Cl2N2O4

    M.W.:
    549.54

    Type:
    Unknown

    AlogP:
    6.14

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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