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OTAVA-ZINC04820693

 MMsINC code: MMs02586267
Type: Neutral
Formula: C12H15Cl2NO2S
SMILES:   Clc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl
InChI:   InChI=1/C12H15Cl2NO2S/c13-11-7-6-10(8-12(11)14)18(16,17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2

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Potential Energy
Epot(MMFF94)=8.36544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.229 g/mol  logS: -4.16258  SlogP: 3.6044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181324  Sterimol/B1: 2.92317  Sterimol/B2: 4.16324  Sterimol/B3: 4.61605
  Sterimol/B4: 5.73769  Sterimol/L: 12.9715 
 
 Surface and Volume Properties
  Accessible surface: 486.569  Positive charged surface: 235.938  Negative charged surface: 250.631  Volume: 257.125
  Hydrophobic surface: 410.886  Hydrophilic surface: 75.683
 
 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.