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PUBCHEM-ZINC05785214

 MMsINC code: MMs03385170
Type: Neutral
Formula: C17H28O6
SMILES:   O(C(OCCOCCOCCC)C)c1cc(OC)ccc1OC
InChI:   InChI=1/C17H28O6/c1-5-8-20-9-10-21-11-12-22-14(2)23-17-13-15(18-3)6-7-16(17)19-4/h6-7,13-14H,5,8-12H2,1-4H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.405 g/mol  logS: -2.70086  SlogP: 2.8884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09965  Sterimol/B1: 3.47276  Sterimol/B2: 5.21473  Sterimol/B3: 5.54023
  Sterimol/B4: 6.65215  Sterimol/L: 18.2798 
 
 Surface and Volume Properties
  Accessible surface: 676.442  Positive charged surface: 557.087  Negative charged surface: 119.355  Volume: 332.25
  Hydrophobic surface: 591.527  Hydrophilic surface: 84.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.