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CHEMBLOCK-ZINC02476978

 MMsINC code: MMs00531882
Type: Neutral
Formula: C15H16O6
SMILES:   O1CC2(COC1c1occc1)COC(OC2)c1occc1
InChI:   InChI=1/C15H16O6/c1-3-11(16-5-1)13-18-7-15(8-19-13)9-20-14(21-10-15)12-4-2-6-17-12/h1-6,13-14H,7-10H2/t13-,14-,15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.0021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.287 g/mol  logS: -3.21007  SlogP: 2.841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745975  Sterimol/B1: 3.33681  Sterimol/B2: 3.55691  Sterimol/B3: 3.75792
  Sterimol/B4: 5.59201  Sterimol/L: 16.1805 
 
 Surface and Volume Properties
  Accessible surface: 511.264  Positive charged surface: 307.967  Negative charged surface: 203.298  Volume: 263
  Hydrophobic surface: 463.947  Hydrophilic surface: 47.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.