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PUBCHEM-ZINC05836381

 MMsINC code: MMs03408233
Type: Neutral
Formula: C15H24O3
SMILES:   O(CCC)c1cc(OCCC)cc(OCCC)c1
InChI:   InChI=1/C15H24O3/c1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3/h10-12H,4-9H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.0306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.354 g/mol  logS: -3.12296  SlogP: 4.053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234778  Sterimol/B1: 2.37555  Sterimol/B2: 2.37654  Sterimol/B3: 2.62794
  Sterimol/B4: 9.50993  Sterimol/L: 16.5142 
 
 Surface and Volume Properties
  Accessible surface: 569.227  Positive charged surface: 424.854  Negative charged surface: 144.372  Volume: 274
  Hydrophobic surface: 482.408  Hydrophilic surface: 86.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.