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PUBCHEM-ZINC06154464

 MMsINC code: MMs03566762
Type: Neutral
Formula: C14H24O6
SMILES:   O(C(=O)C(CCCCC(OCC)=O)C(OCC)=O)CC
InChI:   InChI=1/C14H24O6/c1-4-18-12(15)10-8-7-9-11(13(16)19-5-2)14(17)20-6-3/h11H,4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.5428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.34 g/mol  logS: -2.35384  SlogP: 1.8523  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0246665  Sterimol/B1: 2.76933  Sterimol/B2: 3.19022  Sterimol/B3: 5.18427
  Sterimol/B4: 5.3276  Sterimol/L: 19.2405 
 
 Surface and Volume Properties
  Accessible surface: 596.826  Positive charged surface: 445.006  Negative charged surface: 151.819  Volume: 290.125
  Hydrophobic surface: 431.624  Hydrophilic surface: 165.202
 
 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.