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NCID-ZINC05573793

 MMsINC code: MMs02476847
Type: Neutral
Formula: C8H14O6
SMILES:   O1C2OCCOC2OC(CO)C1CO
InChI:   InChI=1/C8H14O6/c9-3-5-6(4-10)14-8-7(13-5)11-1-2-12-8/h5-10H,1-4H2/t5-,6+,7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: 0.18484  SlogP: -1.546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278061  Sterimol/B1: 2.21595  Sterimol/B2: 2.53798  Sterimol/B3: 4.46385
  Sterimol/B4: 6.00114  Sterimol/L: 10.0888 
 
 Surface and Volume Properties
  Accessible surface: 366.487  Positive charged surface: 300.321  Negative charged surface: 66.1667  Volume: 175
  Hydrophobic surface: 219.922  Hydrophilic surface: 146.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.