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NCID-ZINC01756713

 MMsINC code: MMs02365032
Type: Neutral
Formula: C8H10ClNO2S
SMILES:   ClN(S(=O)(=O)c1ccccc1)CC
InChI:   InChI=1/C8H10ClNO2S/c1-2-10(9)13(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

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Potential Energy
Epot(MMFF94)=28.5788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.692 g/mol  logS: -2.32128  SlogP: 1.851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907768  Sterimol/B1: 3.27808  Sterimol/B2: 3.65597  Sterimol/B3: 3.66555
  Sterimol/B4: 4.54101  Sterimol/L: 11.8505 
 
 Surface and Volume Properties
  Accessible surface: 383.196  Positive charged surface: 231.329  Negative charged surface: 151.867  Volume: 185.125
  Hydrophobic surface: 308.448  Hydrophilic surface: 74.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.