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NCID-ZINC01613645

 MMsINC code: MMs02263731
Type: Neutral
Formula: C14H22O4
SMILES:   O(CCOCC)c1ccc(OCCOCC)cc1
InChI:   InChI=1/C14H22O4/c1-3-15-9-11-17-13-5-7-14(8-6-13)18-12-10-16-4-2/h5-8H,3-4,9-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.1994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.326 g/mol  logS: -2.42534  SlogP: 2.5172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355173  Sterimol/B1: 2.35016  Sterimol/B2: 3.1601  Sterimol/B3: 4.08367
  Sterimol/B4: 4.56446  Sterimol/L: 19.9562 
 
 Surface and Volume Properties
  Accessible surface: 574.687  Positive charged surface: 446.239  Negative charged surface: 128.448  Volume: 266.5
  Hydrophobic surface: 507.987  Hydrophilic surface: 66.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.