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PEAKDALE-ZINC01496529

 MMsINC code: MMs02610022
Type: Neutral
Formula: C14H14N2O4
SMILES:   O(c1ccccc1C(=O)C)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C14H14N2O4/c1-9(17)10-6-4-5-7-11(10)20-14-15-12(18-2)8-13(16-14)19-3/h4-8H,1-3H3

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Potential Energy
Epot(MMFF94)=45.4637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -3.70774  SlogP: 2.4887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.242863  Sterimol/B1: 2.35702  Sterimol/B2: 2.39945  Sterimol/B3: 6.18329
  Sterimol/B4: 7.95008  Sterimol/L: 13.7508 
 
 Surface and Volume Properties
  Accessible surface: 498.639  Positive charged surface: 352.072  Negative charged surface: 146.566  Volume: 256.125
  Hydrophobic surface: 423.875  Hydrophilic surface: 74.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.