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NCID-ZINC01750758

 MMsINC code: MMs02362042
Type: Neutral
Formula: C10H8N2O4S
SMILES:   S(=O)(=O)(C=1NC(=O)NC(=O)C=1)c1ccccc1
InChI:   InChI=1/C10H8N2O4S/c13-8-6-9(12-10(14)11-8)17(15,16)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=13.2939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.25 g/mol  logS: -2.70284  SlogP: 0.1411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15186  Sterimol/B1: 2.09752  Sterimol/B2: 3.91764  Sterimol/B3: 4.13909
  Sterimol/B4: 5.38429  Sterimol/L: 11.8694 
 
 Surface and Volume Properties
  Accessible surface: 415.509  Positive charged surface: 185.529  Negative charged surface: 229.98  Volume: 200.75
  Hydrophobic surface: 206.725  Hydrophilic surface: 208.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.