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PUBCHEM-ZINC06096445

 MMsINC code: MMs03542543
Type: Neutral
Formula: C18H26O10
SMILES:   O1C(COC2OCC(O)C(O)C2O)C(O)C(O)C(O)C1OCc1ccccc1
InChI:   InChI=1/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.396 g/mol  logS: -0.7729  SlogP: -2.2672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506414  Sterimol/B1: 2.18457  Sterimol/B2: 3.10971  Sterimol/B3: 3.90781
  Sterimol/B4: 10.4786  Sterimol/L: 17.5318 
 
 Surface and Volume Properties
  Accessible surface: 669.377  Positive charged surface: 467.305  Negative charged surface: 202.072  Volume: 355.875
  Hydrophobic surface: 402.27  Hydrophilic surface: 267.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 10  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.