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NCID-ZINC05573149

 MMsINC code: MMs02476633
Type: Neutral
Formula: C15H26O8
SMILES:   O1CCOCCOCCOCCOCCOC(=O)C(CC)C1=O
InChI:   InChI=1/C15H26O8/c1-2-13-14(16)22-11-9-20-7-5-18-3-4-19-6-8-21-10-12-23-15(13)17/h13H,2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.6493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.365 g/mol  logS: -1.72519  SlogP: 0.179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888171  Sterimol/B1: 2.27287  Sterimol/B2: 4.62125  Sterimol/B3: 5.87441
  Sterimol/B4: 6.17323  Sterimol/L: 14.5643 
 
 Surface and Volume Properties
  Accessible surface: 586.269  Positive charged surface: 502.431  Negative charged surface: 83.8374  Volume: 315.375
  Hydrophobic surface: 495.398  Hydrophilic surface: 90.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.