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PUBCHEM-ZINC06487351

 MMsINC code: MMs03762190
Type: Neutral
Formula: C13H14N2O2S2
SMILES:   s1cccc1/C(=N\NS(=O)(=O)c1ccc(cc1)C)/C
InChI:   InChI=1/C13H14N2O2S2/c1-10-5-7-12(8-6-10)19(16,17)15-14-11(2)13-4-3-9-18-13/h3-9,15H,1-2H3/b14-11-

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Potential Energy
Epot(MMFF94)=85.4609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.399 g/mol  logS: -4.09939  SlogP: 2.75902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136086  Sterimol/B1: 2.31349  Sterimol/B2: 4.51753  Sterimol/B3: 4.6652
  Sterimol/B4: 6.54895  Sterimol/L: 15.0387 
 
 Surface and Volume Properties
  Accessible surface: 512.441  Positive charged surface: 247.328  Negative charged surface: 265.113  Volume: 263.75
  Hydrophobic surface: 428.39  Hydrophilic surface: 84.051
 
 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.