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PUBCHEM-ZINC00167866

 MMsINC code: MMs02636099
Type: Neutral
Formula: C14H12ClNO2S2
SMILES:   Clc1ccc(cc1)C(=S)NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H12ClNO2S2/c1-10-2-8-13(9-3-10)20(17,18)16-14(19)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=82.4102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.84 g/mol  logS: -5.83956  SlogP: 3.30242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142368  Sterimol/B1: 2.38928  Sterimol/B2: 3.65462  Sterimol/B3: 4.76106
  Sterimol/B4: 7.00779  Sterimol/L: 15.9099 
 
 Surface and Volume Properties
  Accessible surface: 519.432  Positive charged surface: 210.953  Negative charged surface: 308.479  Volume: 273.625
  Hydrophobic surface: 405.517  Hydrophilic surface: 113.915
 
 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.