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PUBCHEM-ZINC00859157

 MMsINC code: MMs02739763
Type: Neutral
Formula: C14H15NO2S2
SMILES:   S(Cc1ccc(NS(=O)(=O)C)cc1)c1ccccc1
InChI:   InChI=1/C14H15NO2S2/c1-19(16,17)15-13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3

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Potential Energy
Epot(MMFF94)=42.4891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.411 g/mol  logS: -4.01216  SlogP: 3.6168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508963  Sterimol/B1: 2.37642  Sterimol/B2: 3.35713  Sterimol/B3: 3.93572
  Sterimol/B4: 5.14688  Sterimol/L: 17.3891 
 
 Surface and Volume Properties
  Accessible surface: 519.129  Positive charged surface: 269.111  Negative charged surface: 250.018  Volume: 267.5
  Hydrophobic surface: 390.733  Hydrophilic surface: 128.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.