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PUBCHEM-ZINC05821868

 MMsINC code: MMs03400882
Type: Neutral
Formula: C10H20O2
SMILES:   O(C(CCCC)CCC)C(=O)C
InChI:   InChI=1/C10H20O2/c1-4-6-8-10(7-5-2)12-9(3)11/h10H,4-8H2,1-3H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.268 g/mol  logS: -2.60969  SlogP: 2.9084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715232  Sterimol/B1: 2.87507  Sterimol/B2: 3.10839  Sterimol/B3: 4.02903
  Sterimol/B4: 5.49146  Sterimol/L: 13.4576 
 
 Surface and Volume Properties
  Accessible surface: 432.204  Positive charged surface: 321.449  Negative charged surface: 110.755  Volume: 197.375
  Hydrophobic surface: 359.686  Hydrophilic surface: 72.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.