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PUBCHEM-ZINC05951286

 MMsINC code: MMs03457496
Type: Neutral
Formula: C15H24O3S
SMILES:   S(OC(CCCCCC)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C15H24O3S/c1-4-5-6-7-8-14(3)18-19(16,17)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=34.9603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.42 g/mol  logS: -5.17112  SlogP: 4.05922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148244  Sterimol/B1: 3.92386  Sterimol/B2: 4.09666  Sterimol/B3: 5.51144
  Sterimol/B4: 6.78871  Sterimol/L: 13.7241 
 
 Surface and Volume Properties
  Accessible surface: 532.778  Positive charged surface: 348.902  Negative charged surface: 183.876  Volume: 288.5
  Hydrophobic surface: 423.858  Hydrophilic surface: 108.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.