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CHEMBRIDGE-ZINC00216497

 MMsINC code: MMs00596273
Type: Neutral
Formula: C12H9NO2S2
SMILES:   S1C2=C(SCC1)C(=O)N(C2=O)c1ccccc1
InChI:   InChI=1/C12H9NO2S2/c14-11-9-10(17-7-6-16-9)12(15)13(11)8-4-2-1-3-5-8/h1-5H,6-7H2

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Potential Energy
Epot(MMFF94)=59.974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.341 g/mol  logS: -4.78665  SlogP: 2.2514  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0161801  Sterimol/B1: 2.95917  Sterimol/B2: 2.96245  Sterimol/B3: 3.99267
  Sterimol/B4: 3.99317  Sterimol/L: 14.1129 
 
 Surface and Volume Properties
  Accessible surface: 434.342  Positive charged surface: 220.654  Negative charged surface: 213.689  Volume: 224.75
  Hydrophobic surface: 283.649  Hydrophilic surface: 150.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.