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PUBCHEM-ZINC03137111

 MMsINC code: MMs03000211
Type: Neutral
Formula: C14H22S
SMILES:   S(C(CCCCCC)C)c1ccccc1
InChI:   InChI=1/C14H22S/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=33.7665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.396 g/mol  logS: -5.32335  SlogP: 5.1376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055644  Sterimol/B1: 2.71101  Sterimol/B2: 3.28206  Sterimol/B3: 3.82405
  Sterimol/B4: 6.15849  Sterimol/L: 16.5772 
 
 Surface and Volume Properties
  Accessible surface: 502.554  Positive charged surface: 336.116  Negative charged surface: 166.438  Volume: 251.125
  Hydrophobic surface: 435.885  Hydrophilic surface: 66.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.