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PUBCHEM-ZINC05732192

 MMsINC code: MMs03363726
Type: Neutral
Formula: C15H30O10
SMILES:   O1C(COCCO)C(OCCO)C(OCCO)C(OCCO)C1OC
InChI:   InChI=1/C15H30O10/c1-20-15-14(24-9-5-19)13(23-8-4-18)12(22-7-3-17)11(25-15)10-21-6-2-16/h11-19H,2-10H2,1H3/t11-,12-,13+,14+,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.395 g/mol  logS: 0.33421  SlogP: -2.5009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181785  Sterimol/B1: 2.54305  Sterimol/B2: 2.565  Sterimol/B3: 6.39991
  Sterimol/B4: 10.4926  Sterimol/L: 15.4015 
 
 Surface and Volume Properties
  Accessible surface: 669.583  Positive charged surface: 609.429  Negative charged surface: 60.1539  Volume: 345.125
  Hydrophobic surface: 475.86  Hydrophilic surface: 193.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.