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PUBCHEM-ZINC03624415

 MMsINC code: MMs03025374
Type: Neutral
Formula: C11H14ClNO3S
SMILES:   ClCC(=O)C(NS(=O)(=O)c1ccc(cc1)C)C
InChI:   InChI=1/C11H14ClNO3S/c1-8-3-5-10(6-4-8)17(15,16)13-9(2)11(14)7-12/h3-6,9,13H,7H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=23.5615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.756 g/mol  logS: -3.12062  SlogP: 1.46972  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.163681  Sterimol/B1: 3.39815  Sterimol/B2: 3.98625  Sterimol/B3: 4.32678
  Sterimol/B4: 6.22654  Sterimol/L: 12.4775 
 
 Surface and Volume Properties
  Accessible surface: 474.334  Positive charged surface: 221.917  Negative charged surface: 252.417  Volume: 237.25
  Hydrophobic surface: 282.956  Hydrophilic surface: 191.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.