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IBS-ZINC04026271

 MMsINC code: MMs01874922
Type: Neutral
Formula: C11H18O4
SMILES:   O1CCOC(=O)CCCCCCCC1=O
InChI:   InChI=1/C11H18O4/c12-10-6-4-2-1-3-5-7-11(13)15-9-8-14-10/h1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.2377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -2.26876  SlogP: 1.8171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165077  Sterimol/B1: 2.92446  Sterimol/B2: 3.20041  Sterimol/B3: 4.7717
  Sterimol/B4: 5.84449  Sterimol/L: 10.3485 
 
 Surface and Volume Properties
  Accessible surface: 402.918  Positive charged surface: 296.23  Negative charged surface: 106.688  Volume: 212.5
  Hydrophobic surface: 325.685  Hydrophilic surface: 77.233
 
 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.