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  1. ALA4878420

    Name:
    4-(4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy)
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    Mol. Formula:
    C23H23N7O6S

    M.W.:
    525.55

    Type:
    Unknown

    AlogP:
    3.53

    Polar Surface Area:
    166.78

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA4876707

    Name:
    4-(4-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy)
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    Mol. Formula:
    C22H20N6O5S2

    M.W.:
    512.57

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    141.61

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA4870827

    Name:
    N-carbamimidoyl-4-(4-(2-(2-methyl-5-nitro-1H-imida
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    Mol. Formula:
    C20H21N7O5S

    M.W.:
    471.50

    Type:
    Unknown

    AlogP:
    2.10

    Polar Surface Area:
    178.59

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA5287147

    Name:
    4-((aminooxy)methyl)benzenesulfonamide

    Mol. Formula:
    C7H10N2O3S

    M.W.:
    202.24

    Type:
    ---

    AlogP:
    -0.28

    Polar Surface Area:
    95.41

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  5. ALA5284282

    Name:
    (S)-4-methyl-2-(4-(4-sulfamoylphenyl)-1H-1,2,3-tri
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    Mol. Formula:
    C14H19N5O3S

    M.W.:
    337.41

    Type:
    ---

    AlogP:
    0.66

    Polar Surface Area:
    133.96

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  6. ALA5281859

    Name:
    (S)-1-((S)-3-(1H-imidazol-5-yl)-2-((E)-2-(((4-sulf
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    Mol. Formula:
    C53H70N18O13S

    M.W.:
    1199.32

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5280346

    Name:
    (1-(2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)-1H
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    Mol. Formula:
    C76H85N15O14S

    M.W.:
    1464.67

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5278617

    Name:
    2-azido-N-(4-sulfamoylphenethyl)acetamide

    Mol. Formula:
    C10H13N5O3S

    M.W.:
    283.31

    Type:
    ---

    AlogP:
    0.30

    Polar Surface Area:
    138.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  9. ALA5290825

    Name:
    (S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-1-((
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    Mol. Formula:
    C32H43N7O9S

    M.W.:
    701.80

    Type:
    ---

    AlogP:
    -0.95

    Polar Surface Area:
    252.68

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  10. ALA4859439

    Name:
    4-(3-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy)
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    Mol. Formula:
    C22H20N6O5S2

    M.W.:
    512.57

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    141.61

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA1088191

    Name:
    5-morpholino-N-(4-sulfamoylcyclohexa-2,5-dienyl)pe
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    Mol. Formula:
    C15H25N3O4S

    M.W.:
    343.45

    Type:
    Small molecule

    AlogP:
    -0.24

    Polar Surface Area:
    101.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA1086162

    Name:
    4-morpholino-N-(4-sulfamoylcyclohexa-2,5-dienyl)bu
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    Mol. Formula:
    C14H23N3O4S

    M.W.:
    329.42

    Type:
    Small molecule

    AlogP:
    -0.63

    Polar Surface Area:
    101.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  13. ALA1086161

    Name:
    4-(4-methylpiperidin-1-yl)-N-(4-sulfamoylcyclohexa
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    Mol. Formula:
    C16H27N3O3S

    M.W.:
    341.48

    Type:
    Small molecule

    AlogP:
    0.77

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. ALA1086160

    Name:
    3-(4-benzylpiperidin-1-yl)-N-(4-sulfamoylcyclohexa
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    Mol. Formula:
    C21H29N3O3S

    M.W.:
    403.55

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  15. ALA1085912

    Name:
    3-(4-methylpiperidin-1-yl)-N-(4-sulfamoylcyclohexa
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    Mol. Formula:
    C15H25N3O3S

    M.W.:
    327.45

    Type:
    Small molecule

    AlogP:
    0.38

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  16. ALA1077151

    Name:
    3-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylcyclohexa
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    Mol. Formula:
    C20H28N4O3S

    M.W.:
    404.54

    Type:
    Small molecule

    AlogP:
    0.46

    Polar Surface Area:
    95.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  17. ALA1086148

    Name:
    3-(4-methylpiperazin-1-yl)-N-(4-sulfamoylcyclohexa
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    Mol. Formula:
    C14H24N4O3S

    M.W.:
    328.44

    Type:
    Small molecule

    AlogP:
    -1.11

    Polar Surface Area:
    95.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA1083496

    Name:
    4-Ethylamino-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro
    Show More

    Mol. Formula:
    C9H15N3O4S3

    M.W.:
    325.44

    Type:
    Small molecule

    AlogP:
    -0.32

    Polar Surface Area:
    109.57

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  19. ALA1088204

    Name:
    rac-N-[1-(1-benzothien-3-yl)ethyl]sulfamide

    Mol. Formula:
    C10H12N2O2S2

    M.W.:
    256.35

    Type:
    Small molecule

    AlogP:
    1.76

    Polar Surface Area:
    72.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  20. ALA1088203

    Name:
    N-(1-naphthylmethyl)sulfamide

    Cas Number:
    877316-45-5

    Mol. Formula:
    C11H12N2O2S

    M.W.:
    236.30

    Type:
    Small molecule

    AlogP:
    1.13

    Polar Surface Area:
    72.19

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
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