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PUBCHEM-ZINC00446046

 MMsINC code: MMs02685071
Type: Neutral
Formula: C12H11NO4S2
SMILES:   S(=O)(=O)(c1cc(S(=O)(=O)N)ccc1)c1ccccc1
InChI:   InChI=1/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17)

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Potential Energy
Epot(MMFF94)=26.5673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -3.57604  SlogP: 1.1668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116187  Sterimol/B1: 2.81207  Sterimol/B2: 3.46679  Sterimol/B3: 5.30579
  Sterimol/B4: 5.65392  Sterimol/L: 13.3167 
 
 Surface and Volume Properties
  Accessible surface: 476.169  Positive charged surface: 205.636  Negative charged surface: 270.532  Volume: 240.75
  Hydrophobic surface: 287.507  Hydrophilic surface: 188.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02685072
PUBCHEM-ZINC00446046