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PUBCHEM-ZINC05166713

 MMsINC code: MMs03219113
Type: Neutral
Formula: C14H20O10
SMILES:   O1C(C(OC)=O)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC
InChI:   InChI=1/C14H20O10/c1-6(15)21-9-10(22-7(2)16)12(23-8(3)17)14(20-5)24-11(9)13(18)19-4/h9-12,14H,1-5H3/t9-,10-,11+,12+,14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.2897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.304 g/mol  logS: -1.56015  SlogP: -0.6742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.436689  Sterimol/B1: 2.21472  Sterimol/B2: 2.95426  Sterimol/B3: 6.72277
  Sterimol/B4: 9.99216  Sterimol/L: 11.9803 
 
 Surface and Volume Properties
  Accessible surface: 577.167  Positive charged surface: 411.589  Negative charged surface: 165.577  Volume: 302.375
  Hydrophobic surface: 453.543  Hydrophilic surface: 123.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.