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ASINEX-ZINC04026385

 MMsINC code: MMs00297250
Type: Neutral
Formula: C14H24O4
SMILES:   O1CC(COC(=O)CCCCCCCCC1=O)C
InChI:   InChI=1/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.5278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.18752  SlogP: 2.8433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178186  Sterimol/B1: 2.30823  Sterimol/B2: 4.81428  Sterimol/B3: 4.97291
  Sterimol/B4: 5.97055  Sterimol/L: 11.6596 
 
 Surface and Volume Properties
  Accessible surface: 450.912  Positive charged surface: 346.724  Negative charged surface: 104.188  Volume: 264.5
  Hydrophobic surface: 380.644  Hydrophilic surface: 70.268
 
 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.