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CHEMDIV-ZINC00240097

 MMsINC code: MMs00845175
Type: Neutral
Formula: C9H11ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)N(C)C)cc1
InChI:   InChI=1/C9H11ClN2O3S/c1-12(2)9(13)11-16(14,15)8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=-22.576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.717 g/mol  logS: -2.27958  SlogP: 1.2999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150942  Sterimol/B1: 2.2448  Sterimol/B2: 3.36525  Sterimol/B3: 4.66143
  Sterimol/B4: 6.32784  Sterimol/L: 12.7928 
 
 Surface and Volume Properties
  Accessible surface: 443.617  Positive charged surface: 243.778  Negative charged surface: 199.839  Volume: 214.375
  Hydrophobic surface: 348.591  Hydrophilic surface: 95.026
 
 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.