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PUBCHEM-ZINC00971630

 MMsINC code: MMs02746732
Type: Neutral
Formula: C12H11NO3S2
SMILES:   s1cccc1S(=O)(=O)CNC(=O)c1ccccc1
InChI:   InChI=1/C12H11NO3S2/c14-12(10-5-2-1-3-6-10)13-9-18(15,16)11-7-4-8-17-11/h1-8H,9H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=66.8363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -3.13655  SlogP: 1.9093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569414  Sterimol/B1: 3.20116  Sterimol/B2: 3.59624  Sterimol/B3: 3.63444
  Sterimol/B4: 5.7268  Sterimol/L: 13.6786 
 
 Surface and Volume Properties
  Accessible surface: 470.023  Positive charged surface: 211.966  Negative charged surface: 258.057  Volume: 240.5
  Hydrophobic surface: 363.82  Hydrophilic surface: 106.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.