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PUBCHEM-ZINC05785219

 MMsINC code: MMs03385173
Type: Neutral
Formula: C16H26O5
SMILES:   O(C(OCCOCCOCCC)C)c1ccc(OC)cc1
InChI:   InChI=1/C16H26O5/c1-4-9-18-10-11-19-12-13-20-14(2)21-16-7-5-15(17-3)6-8-16/h5-8,14H,4,9-13H2,1-3H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.379 g/mol  logS: -2.65048  SlogP: 2.8798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108336  Sterimol/B1: 2.78651  Sterimol/B2: 4.2635  Sterimol/B3: 5.8102
  Sterimol/B4: 7.35581  Sterimol/L: 17.2251 
 
 Surface and Volume Properties
  Accessible surface: 635.433  Positive charged surface: 499.946  Negative charged surface: 135.487  Volume: 309
  Hydrophobic surface: 557.273  Hydrophilic surface: 78.16
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.