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PUBCHEM-ZINC04529836

 MMsINC code: MMs03129260
Type: Neutral
Formula: C11H18O3S
SMILES:   S(OC)(=O)(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C11H18O3S/c1-14-15(12,13)11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/t8-,9+,10-,11-

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Potential Energy
Epot(MMFF94)=33.7529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.328 g/mol  logS: -2.78275  SlogP: 1.9314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270624  Sterimol/B1: 3.51964  Sterimol/B2: 3.87409  Sterimol/B3: 3.95611
  Sterimol/B4: 4.29018  Sterimol/L: 11.1273 
 
 Surface and Volume Properties
  Accessible surface: 392.435  Positive charged surface: 299.366  Negative charged surface: 93.0682  Volume: 207.625
  Hydrophobic surface: 340.886  Hydrophilic surface: 51.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.