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PUBCHEM-ZINC05714694

 MMsINC code: MMs03356367
Type: Neutral
Formula: C6H14O2S
SMILES:   S(=O)(C(C)(C)C)CCO
InChI:   InChI=1/C6H14O2S/c1-6(2,3)9(8)5-4-7/h7H,4-5H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=23.5147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.242 g/mol  logS: -0.63028  SlogP: 0.5259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186667  Sterimol/B1: 1.98268  Sterimol/B2: 2.90104  Sterimol/B3: 3.79396
  Sterimol/B4: 5.31386  Sterimol/L: 11.0292 
 
 Surface and Volume Properties
  Accessible surface: 338.572  Positive charged surface: 238.879  Negative charged surface: 99.6932  Volume: 150.375
  Hydrophobic surface: 205.694  Hydrophilic surface: 132.878
 
 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.