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ASINEX-ZINC06681499

 MMsINC code: MMs00444959
Type: Neutral
Formula: C11H9ClN2O3S2
SMILES:   Clc1ccccc1NS(=O)(=O)c1cc(sc1)C(=O)N
InChI:   InChI=1/C11H9ClN2O3S2/c12-8-3-1-2-4-9(8)14-19(16,17)7-5-10(11(13)15)18-6-7/h1-6,14H,(H2,13,15)

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Potential Energy
Epot(MMFF94)=38.4353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.789 g/mol  logS: -3.8398  SlogP: 2.3012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189629  Sterimol/B1: 2.61698  Sterimol/B2: 3.24344  Sterimol/B3: 6.00551
  Sterimol/B4: 6.2518  Sterimol/L: 12.6636 
 
 Surface and Volume Properties
  Accessible surface: 474.546  Positive charged surface: 185.944  Negative charged surface: 288.603  Volume: 246.25
  Hydrophobic surface: 289.631  Hydrophilic surface: 184.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.