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ACROSORGANICS-ZINC03875772

 MMsINC code: MMs00016256
Type: Neutral
Formula: C14H26O4
SMILES:   O(C(=O)CCCCCCCCC(OCC)=O)CC
InChI:   InChI=1/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.04058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.358 g/mol  logS: -3.28956  SlogP: 3.2334  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0125597  Sterimol/B1: 2.37498  Sterimol/B2: 2.37609  Sterimol/B3: 2.81797
  Sterimol/B4: 3.55719  Sterimol/L: 23.2235 
 
 Surface and Volume Properties
  Accessible surface: 596.838  Positive charged surface: 462.27  Negative charged surface: 134.568  Volume: 278.125
  Hydrophobic surface: 470.133  Hydrophilic surface: 126.705
 
 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.