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PUBCHEM-ZINC05650743

 MMsINC code: MMs03337063
Type: Neutral
Formula: C10H22O5
SMILES:   O(CCOCCOCC)CCOCCO
InChI:   InChI=1/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.281 g/mol  logS: -0.28577  SlogP: 0.065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122536  Sterimol/B1: 2.60253  Sterimol/B2: 3.02984  Sterimol/B3: 5.08438
  Sterimol/B4: 5.68641  Sterimol/L: 16.1243 
 
 Surface and Volume Properties
  Accessible surface: 545.082  Positive charged surface: 485.787  Negative charged surface: 59.295  Volume: 231.5
  Hydrophobic surface: 452.935  Hydrophilic surface: 92.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.