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PUBCHEM-ZINC05998325

 MMsINC code: MMs03482366
Type: Neutral
Formula: C11H20O9
SMILES:   O1CC(O)C(O)C(O)C1OC1COC(OC)C(O)C1O
InChI:   InChI=1/C11H20O9/c1-17-10-9(16)7(14)5(3-19-10)20-11-8(15)6(13)4(12)2-18-11/h4-16H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.272 g/mol  logS: 0.79246  SlogP: -3.4649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105129  Sterimol/B1: 2.23747  Sterimol/B2: 2.65597  Sterimol/B3: 4.75503
  Sterimol/B4: 5.76585  Sterimol/L: 15.178 
 
 Surface and Volume Properties
  Accessible surface: 506.134  Positive charged surface: 404.199  Negative charged surface: 101.935  Volume: 249.5
  Hydrophobic surface: 271.295  Hydrophilic surface: 234.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.