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NCID-ZINC05189993

 MMsINC code: MMs02447315
Type: Neutral
Formula: C14H24O2
SMILES:   O=C1CCCCCCC(=O)CCCCCC1
InChI:   InChI=1/C14H24O2/c15-13-9-5-1-2-6-10-14(16)12-8-4-3-7-11-13/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.344 g/mol  logS: -2.79772  SlogP: 3.8194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163429  Sterimol/B1: 2.89296  Sterimol/B2: 3.68787  Sterimol/B3: 4.429
  Sterimol/B4: 5.79557  Sterimol/L: 10.6804 
 
 Surface and Volume Properties
  Accessible surface: 436.258  Positive charged surface: 314.231  Negative charged surface: 122.027  Volume: 246.75
  Hydrophobic surface: 374.231  Hydrophilic surface: 62.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.