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PUBCHEM-ZINC02890248

 MMsINC code: MMs02954967
Type: Neutral
Formula: C13H12ClNO3S
SMILES:   Clc1cc(NS(=O)(=O)c2ccccc2)ccc1OC
InChI:   InChI=1/C13H12ClNO3S/c1-18-13-8-7-10(9-12(13)14)15-19(16,17)11-5-3-2-4-6-11/h2-9,15H,1H3

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Potential Energy
Epot(MMFF94)=49.5253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.762 g/mol  logS: -3.83139  SlogP: 3.1494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195126  Sterimol/B1: 3.48528  Sterimol/B2: 3.51337  Sterimol/B3: 5.34647
  Sterimol/B4: 5.88887  Sterimol/L: 12.7398 
 
 Surface and Volume Properties
  Accessible surface: 489.3  Positive charged surface: 250.242  Negative charged surface: 239.058  Volume: 252.5
  Hydrophobic surface: 402.974  Hydrophilic surface: 86.326
 
 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.