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PUBCHEM-ZINC03672897

 MMsINC code: MMs03037747
Type: Neutral
Formula: C11H11ClN2O3S
SMILES:   Clc1[nH]c2c(cc(S(=O)(=O)N(C)C)cc2)c1C=O
InChI:   InChI=1/C11H11ClN2O3S/c1-14(2)18(16,17)7-3-4-10-8(5-7)9(6-15)11(12)13-10/h3-6,13H,1-2H3

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Potential Energy
Epot(MMFF94)=27.8284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.739 g/mol  logS: -2.64  SlogP: 1.8841  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0832408  Sterimol/B1: 2.67751  Sterimol/B2: 2.69154  Sterimol/B3: 4.41213
  Sterimol/B4: 6.46448  Sterimol/L: 13.8885 
 
 Surface and Volume Properties
  Accessible surface: 463.715  Positive charged surface: 250.209  Negative charged surface: 208.015  Volume: 235.625
  Hydrophobic surface: 327.133  Hydrophilic surface: 136.582
 
 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.