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PUBCHEM-ZINC05640647

 MMsINC code: MMs03332252
Type: Neutral
Formula: C14H14O5
SMILES:   O(C)C=1C(=O)C=2C(=CC=1OC)C=CC=C(OC)C=2O
InChI:   InChI=1/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,15H,1-3H3

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Potential Energy
Epot(MMFF94)=139.477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.261 g/mol  logS: -2.70116  SlogP: 1.9121  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0364381  Sterimol/B1: 2.97286  Sterimol/B2: 3.30674  Sterimol/B3: 4.31769
  Sterimol/B4: 5.10324  Sterimol/L: 14.0435 
 
 Surface and Volume Properties
  Accessible surface: 474.062  Positive charged surface: 368.879  Negative charged surface: 98.9435  Volume: 241.625
  Hydrophobic surface: 396.979  Hydrophilic surface: 77.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.