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PUBCHEM-ZINC05134314

 MMsINC code: MMs03209271
Type: Neutral
Formula: C15H24O9
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC1OCCC2C1C(=CC2O)CO
InChI:   InChI=1/C15H24O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h3,7-21H,1-2,4-5H2/t7-,8+,9-,10-,11+,12+,13+,14-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=105.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.348 g/mol  logS: 0.43881  SlogP: -2.9251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161625  Sterimol/B1: 2.37121  Sterimol/B2: 3.74866  Sterimol/B3: 4.34826
  Sterimol/B4: 7.5683  Sterimol/L: 12.9356 
 
 Surface and Volume Properties
  Accessible surface: 545.337  Positive charged surface: 436.034  Negative charged surface: 109.303  Volume: 302.375
  Hydrophobic surface: 262.238  Hydrophilic surface: 283.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.