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PUBCHEM-ZINC01151373

 MMsINC code: MMs02779953
Type: Neutral
Formula: C16H17Cl2NO2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)NC(CCc1ccccc1)C
InChI:   InChI=1/C16H17Cl2NO2S/c1-12(7-8-13-5-3-2-4-6-13)19-22(20,21)16-11-14(17)9-10-15(16)18/h2-6,9-12,19H,7-8H2,1H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=20.6925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.289 g/mol  logS: -5.04979  SlogP: 4.29297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764334  Sterimol/B1: 2.06202  Sterimol/B2: 4.51031  Sterimol/B3: 5.10556
  Sterimol/B4: 5.86217  Sterimol/L: 16.8599 
 
 Surface and Volume Properties
  Accessible surface: 563.807  Positive charged surface: 246.733  Negative charged surface: 317.073  Volume: 311.375
  Hydrophobic surface: 485.734  Hydrophilic surface: 78.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.