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PUBCHEM-ZINC05418650

 MMsINC code: MMs03263058
Type: Neutral
Formula: C11H15Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NCCCCC
InChI:   InChI=1/C11H15Cl2NO2S/c1-2-3-4-7-14-17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8,14H,2-4,7H2,1H3

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Potential Energy
Epot(MMFF94)=25.8837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.218 g/mol  logS: -4.25086  SlogP: 3.4619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606957  Sterimol/B1: 3.30886  Sterimol/B2: 3.54866  Sterimol/B3: 4.05458
  Sterimol/B4: 5.86687  Sterimol/L: 15.9139 
 
 Surface and Volume Properties
  Accessible surface: 489.167  Positive charged surface: 240.161  Negative charged surface: 249.006  Volume: 247.75
  Hydrophobic surface: 382.554  Hydrophilic surface: 106.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.