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PUBCHEM-ZINC05437780

 MMsINC code: MMs03269247
Type: Neutral
Formula: C14H26O2
SMILES:   O(C(=O)C)C1CCCCCCCCCCC1
InChI:   InChI=1/C14H26O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.36 g/mol  logS: -4.56853  SlogP: 4.2228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135609  Sterimol/B1: 2.58097  Sterimol/B2: 4.00301  Sterimol/B3: 4.9537
  Sterimol/B4: 5.0812  Sterimol/L: 12.941 
 
 Surface and Volume Properties
  Accessible surface: 459.192  Positive charged surface: 336.631  Negative charged surface: 122.561  Volume: 254.375
  Hydrophobic surface: 425.872  Hydrophilic surface: 33.32
 
 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.