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  1. ALA4540728

    Name:
    4-(4-(4-(3-bromophenyl)pyrimidin-2-yl)piperazine-1
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    Mol. Formula:
    C21H21BrN6O4S

    M.W.:
    533.41

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    130.75

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA4538006

    Name:
    2-Chloro-4-(4-decylpiperazine-1-carboxamido)phenyl
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    Mol. Formula:
    C21H35ClN4O4S

    M.W.:
    475.06

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA4525656

    Name:
    3-Fluoro-4-(4-octylpiperazine-1-carboxamido)phenyl
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    Mol. Formula:
    C19H31FN4O4S

    M.W.:
    430.55

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4520455

    Name:
    2,2,2-trifluoro-N-((8R,9S,13S,14S)-13-methyl-17-ox
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    Mol. Formula:
    C20H22F3NO2

    M.W.:
    365.39

    Type:
    Unknown

    AlogP:
    4.61

    Polar Surface Area:
    46.17

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA4520442

    Name:
    3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl sulfamate

    Mol. Formula:
    C16H21NO5S

    M.W.:
    339.41

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    99.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4533495

    Name:
    4-(4-Decylpiperazine-1-carboxamido)-3-fluorophenyl
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    Mol. Formula:
    C21H35FN4O4S

    M.W.:
    458.60

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA4531739

    Name:
    2-Chloro-4-(4-octylpiperazine-1-carboxamido)phenyl
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    Mol. Formula:
    C19H31ClN4O4S

    M.W.:
    447.00

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA4560198

    Name:
    4-(4-Octylpiperazine-1-carboxamido)phenyl sulfamat
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    Mol. Formula:
    C19H32N4O4S

    M.W.:
    412.56

    Type:
    Unknown

    AlogP:
    2.78

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  9. ALA4555404

    Name:
    4-(2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,
    Show More

    Mol. Formula:
    C19H11F21N2O4S

    M.W.:
    762.33

    Type:
    Unknown

    AlogP:
    6.21

    Polar Surface Area:
    98.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA4554860

    Name:
    2-Fluoro-4-(4-octylpiperazine-1-carboxamido)phenyl
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    Mol. Formula:
    C19H31FN4O4S

    M.W.:
    430.55

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA4529949

    Name:
    4-(2-tridecanamidoethyl)phenyl sulfamate

    Cas Number:
    183560-60-3

    Mol. Formula:
    C21H36N2O4S

    M.W.:
    412.60

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    98.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  12. ALA4528566

    Name:
    4-(4-(4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl)pip
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    Mol. Formula:
    C24H28N6O7S

    M.W.:
    544.59

    Type:
    Unknown

    AlogP:
    2.11

    Polar Surface Area:
    158.44

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA4517286

    Name:
    (3aS,3bR,9bS,11aS)-11a-methyl-1,3-dioxo-2-(pyridin
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    Mol. Formula:
    C23H25N3O5S

    M.W.:
    455.54

    Type:
    Unknown

    AlogP:
    2.30

    Polar Surface Area:
    119.66

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  14. ALA4550166

    Name:
    4-(4-(2,3-Dimethylphenyl)piperazine-1-carboxamido)
    Show More

    Mol. Formula:
    C19H23FN4O4S

    M.W.:
    422.48

    Type:
    Unknown

    AlogP:
    2.38

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  15. ALA4548819

    Name:
    3-Chloro-4-(4-octylpiperazine-1-carboxamido)phenyl
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    Mol. Formula:
    C19H31ClN4O4S

    M.W.:
    447.00

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  16. ALA4547402

    Name:
    4-(4-(4-phenylpyrimidin-2-yl)piperazine-1-carboxam
    Show More

    Mol. Formula:
    C21H22N6O4S

    M.W.:
    454.51

    Type:
    Unknown

    AlogP:
    2.08

    Polar Surface Area:
    130.75

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA4576206

    Name:
    6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl
    Show More

    Mol. Formula:
    C13H13O6P

    M.W.:
    296.22

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    96.97

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA4589725

    Name:
    4-(4-(3,4-Dichlorophenyl)piperazine-1-carboxamido)
    Show More

    Mol. Formula:
    C17H18Cl2N4O4S

    M.W.:
    445.33

    Type:
    Unknown

    AlogP:
    2.93

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  19. ALA4588106

    Name:
    4-(4-heptylpiperazine-1-carboxamido)phenyl sulfama
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    Mol. Formula:
    C18H30N4O4S

    M.W.:
    398.53

    Type:
    Unknown

    AlogP:
    2.39

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  20. ALA4463695

    Name:
    4-(4-Decylpiperazine-1-carboxamido)-2-fluorophenyl
    Show More

    Mol. Formula:
    C21H35FN4O4S

    M.W.:
    458.60

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    104.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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