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PUBCHEM-ZINC01446610

 MMsINC code: MMs02806437
Type: Neutral
Formula: C15H9Cl2NO2S2
SMILES:   Clc1cc(ccc1Cl)-c1oc(cc1)\C=C/1\SC(=S)N(C)C\1=O
InChI:   InChI=1/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)8-2-4-10(16)11(17)6-8/h2-7H,1H3/b13-7-

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Potential Energy
Epot(MMFF94)=47.1098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.28 g/mol  logS: -7.85328  SlogP: 5.0844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00330362  Sterimol/B1: 2.3439  Sterimol/B2: 2.51311  Sterimol/B3: 4.77557
  Sterimol/B4: 6.33997  Sterimol/L: 16.6833 
 
 Surface and Volume Properties
  Accessible surface: 560.494  Positive charged surface: 217.767  Negative charged surface: 342.727  Volume: 297.375
  Hydrophobic surface: 422.746  Hydrophilic surface: 137.748
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.