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PUBCHEM-ZINC01318785

 MMsINC code: MMs02796457
Type: Neutral
Formula: C14H20O10
SMILES:   O1C(CO)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.304 g/mol  logS: -1.22233  SlogP: -0.9382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652535  Sterimol/B1: 3.19069  Sterimol/B2: 3.28937  Sterimol/B3: 5.94024
  Sterimol/B4: 6.83472  Sterimol/L: 13.9858 
 
 Surface and Volume Properties
  Accessible surface: 583.806  Positive charged surface: 369.193  Negative charged surface: 214.613  Volume: 300.625
  Hydrophobic surface: 408.79  Hydrophilic surface: 175.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.