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ASINEX-ZINC04024376

 MMsINC code: MMs00297165
Type: Neutral
Formula: C15H26O4
SMILES:   O1CCOC(=O)CCCCCCCCCCCC1=O
InChI:   InChI=1/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.9383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -4.32964  SlogP: 3.3775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116203  Sterimol/B1: 2.48161  Sterimol/B2: 2.64156  Sterimol/B3: 3.90067
  Sterimol/B4: 9.22049  Sterimol/L: 12.4116 
 
 Surface and Volume Properties
  Accessible surface: 497.313  Positive charged surface: 376.145  Negative charged surface: 121.169  Volume: 280.125
  Hydrophobic surface: 428.515  Hydrophilic surface: 68.798
 
 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.