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PUBCHEM-ZINC05113574

 MMsINC code: MMs03201795
Type: Neutral
Formula: C10H22O6
SMILES:   O(C(C(O)CCOCCCO)CO)CCO
InChI:   InChI=1/C10H22O6/c11-3-1-5-15-6-2-9(14)10(8-13)16-7-4-12/h9-14H,1-8H2/t9-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.0183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.28 g/mol  logS: 0.5308  SlogP: -1.4938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054012  Sterimol/B1: 2.84626  Sterimol/B2: 3.57087  Sterimol/B3: 4.08837
  Sterimol/B4: 5.16131  Sterimol/L: 15.4505 
 
 Surface and Volume Properties
  Accessible surface: 519.414  Positive charged surface: 433.754  Negative charged surface: 85.6595  Volume: 234
  Hydrophobic surface: 323.975  Hydrophilic surface: 195.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.