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NCID-ZINC01671399

 MMsINC code: MMs02307395
Type: Neutral
Formula: C11H18O5
SMILES:   O(C(=O)CCC(=O)CCC(OCC)=O)CC
InChI:   InChI=1/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.31188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.26 g/mol  logS: -0.92033  SlogP: 1.2421  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0150568  Sterimol/B1: 2.37513  Sterimol/B2: 2.37558  Sterimol/B3: 2.65447
  Sterimol/B4: 3.76649  Sterimol/L: 19.5318 
 
 Surface and Volume Properties
  Accessible surface: 509.513  Positive charged surface: 372.268  Negative charged surface: 137.245  Volume: 227.625
  Hydrophobic surface: 352.242  Hydrophilic surface: 157.271
 
 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.