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NCID-ZINC05063357

 MMsINC code: MMs02435073
Type: Neutral
Formula: C16H24O10
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCC
InChI:   InChI=1/C16H24O10/c1-6-21-16-15(25-11(5)20)14(24-10(4)19)13(23-9(3)18)12(26-16)7-22-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13+,14+,15+,16+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.1302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.358 g/mol  logS: -1.89472  SlogP: 0.106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297856  Sterimol/B1: 2.22966  Sterimol/B2: 4.6651  Sterimol/B3: 5.77369
  Sterimol/B4: 10.6319  Sterimol/L: 15.1453 
 
 Surface and Volume Properties
  Accessible surface: 647.883  Positive charged surface: 414.277  Negative charged surface: 233.606  Volume: 338.25
  Hydrophobic surface: 475.963  Hydrophilic surface: 171.92
 
 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.