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PUBCHEM-ZINC06096215

 MMsINC code: MMs03542313
Type: Neutral
Formula: C19H28O10
SMILES:   O1C(COC2OCC(O)C(O)C2O)C(O)C(O)C(O)C1OCCc1ccccc1
InChI:   InChI=1/C19H28O10/c20-11-8-27-18(16(24)13(11)21)28-9-12-14(22)15(23)17(25)19(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.423 g/mol  logS: -0.83437  SlogP: -2.49113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547123  Sterimol/B1: 2.52083  Sterimol/B2: 3.05768  Sterimol/B3: 3.82791
  Sterimol/B4: 12.38  Sterimol/L: 15.8193 
 
 Surface and Volume Properties
  Accessible surface: 691.354  Positive charged surface: 489.668  Negative charged surface: 201.685  Volume: 372.625
  Hydrophobic surface: 432.76  Hydrophilic surface: 258.594
 
 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.