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ACROSORGANICS-ZINC01692489

 MMsINC code: MMs00011136
Type: Neutral
Formula: C10H22O5
SMILES:   O(CCOCCOC)CCOCCOC
InChI:   InChI=1/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.281 g/mol  logS: -0.30374  SlogP: 0.329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124363  Sterimol/B1: 2.47853  Sterimol/B2: 2.58464  Sterimol/B3: 5.08292
  Sterimol/B4: 5.0877  Sterimol/L: 16.3654 
 
 Surface and Volume Properties
  Accessible surface: 545.662  Positive charged surface: 517.268  Negative charged surface: 28.3943  Volume: 231
  Hydrophobic surface: 517.268  Hydrophilic surface: 28.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.