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PUBCHEM-ZINC04810836

 MMsINC code: MMs03174121
Type: Neutral
Formula: C10H15NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)NCCC)cc1
InChI:   InChI=1/C10H15NO2S2/c1-3-8-11-15(12,13)10-6-4-9(14-2)5-7-10/h4-7,11H,3,8H2,1-2H3

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Potential Energy
Epot(MMFF94)=6.63818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.367 g/mol  logS: -2.77324  SlogP: 2.0968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912512  Sterimol/B1: 2.00599  Sterimol/B2: 2.92325  Sterimol/B3: 4.52656
  Sterimol/B4: 7.17758  Sterimol/L: 13.6297 
 
 Surface and Volume Properties
  Accessible surface: 456.339  Positive charged surface: 248.91  Negative charged surface: 207.429  Volume: 222.5
  Hydrophobic surface: 307.142  Hydrophilic surface: 149.197
 
 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.