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PUBCHEM-ZINC06036688

 MMsINC code: MMs03506582
Type: Neutral
Formula: C10H22O5
SMILES:   O(CC(O)C)CCOCCOCCOC
InChI:   InChI=1/C10H22O5/c1-10(11)9-15-8-7-14-6-5-13-4-3-12-2/h10-11H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.5062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.281 g/mol  logS: -0.28577  SlogP: 0.0634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134647  Sterimol/B1: 2.17432  Sterimol/B2: 3.00007  Sterimol/B3: 4.61007
  Sterimol/B4: 6.20131  Sterimol/L: 15.1665 
 
 Surface and Volume Properties
  Accessible surface: 530.079  Positive charged surface: 474.299  Negative charged surface: 55.7797  Volume: 231.125
  Hydrophobic surface: 444.272  Hydrophilic surface: 85.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.