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PUBCHEM-ZINC05418652

 MMsINC code: MMs03263059
Type: Neutral
Formula: C11H16ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NCCCCC)cc1
InChI:   InChI=1/C11H16ClNO2S/c1-2-3-4-9-13-16(14,15)11-7-5-10(12)6-8-11/h5-8,13H,2-4,9H2,1H3

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Potential Energy
Epot(MMFF94)=0.220723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.773 g/mol  logS: -3.51657  SlogP: 2.8085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818474  Sterimol/B1: 3.36431  Sterimol/B2: 3.81202  Sterimol/B3: 4.10641
  Sterimol/B4: 6.07963  Sterimol/L: 15.0518 
 
 Surface and Volume Properties
  Accessible surface: 484.731  Positive charged surface: 260.303  Negative charged surface: 224.428  Volume: 236.5
  Hydrophobic surface: 378.129  Hydrophilic surface: 106.602
 
 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.