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NCID-ZINC01682738

 MMsINC code: MMs02316396
Type: Neutral
Formula: C8H14O6
SMILES:   O(C(=O)C(OCCOC)=O)CCOC
InChI:   InChI=1/C8H14O6/c1-11-3-5-13-7(9)8(10)14-6-4-12-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.5128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: -0.69216  SlogP: -0.6344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412013  Sterimol/B1: 2.43932  Sterimol/B2: 2.63184  Sterimol/B3: 3.6983
  Sterimol/B4: 4.24437  Sterimol/L: 15.9561 
 
 Surface and Volume Properties
  Accessible surface: 463.426  Positive charged surface: 381.11  Negative charged surface: 82.3166  Volume: 191.75
  Hydrophobic surface: 349.523  Hydrophilic surface: 113.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.