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PUBCHEM-ZINC06635006

 MMsINC code: MMs03831543
Type: Neutral
Formula: C10H22O2S
SMILES:   S(O)(=O)CC(CCCC)CCCC
InChI:   InChI=1/C10H22O2S/c1-3-5-7-10(8-6-4-2)9-13(11)12/h10H,3-9H2,1-2H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=19.9535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.35 g/mol  logS: -3.58264  SlogP: 2.639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851057  Sterimol/B1: 2.3875  Sterimol/B2: 3.14588  Sterimol/B3: 3.34595
  Sterimol/B4: 8.63861  Sterimol/L: 13.2842 
 
 Surface and Volume Properties
  Accessible surface: 465.171  Positive charged surface: 340.431  Negative charged surface: 124.741  Volume: 217.375
  Hydrophobic surface: 312.621  Hydrophilic surface: 152.55
 
 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


MMs03831544
PUBCHEM-ZINC06635006