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PUBCHEM-ZINC05133743

 MMsINC code: MMs03208659
Type: Neutral
Formula: C13H24O2
SMILES:   O(C=O)C1CCCCCCCCCCC1
InChI:   InChI=1/C13H24O2/c14-12-15-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.64 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.333 g/mol  logS: -4.45745  SlogP: 3.8327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324289  Sterimol/B1: 4.01969  Sterimol/B2: 4.19555  Sterimol/B3: 4.21082
  Sterimol/B4: 5.74057  Sterimol/L: 10.3715 
 
 Surface and Volume Properties
  Accessible surface: 417.815  Positive charged surface: 308.999  Negative charged surface: 108.815  Volume: 236
  Hydrophobic surface: 360.01  Hydrophilic surface: 57.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.