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PUBCHEM-ZINC05158199

 MMsINC code: MMs03214500
Type: Neutral
Formula: C13H15NO4
SMILES:   O(C(=O)C(C)=C)CCOC(=O)Nc1ccccc1
InChI:   InChI=1/C13H15NO4/c1-10(2)12(15)17-8-9-18-13(16)14-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=40.1267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.266 g/mol  logS: -2.58514  SlogP: 2.3544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241919  Sterimol/B1: 2.31545  Sterimol/B2: 2.47149  Sterimol/B3: 3.46098
  Sterimol/B4: 6.16625  Sterimol/L: 16.8833 
 
 Surface and Volume Properties
  Accessible surface: 523.025  Positive charged surface: 322.108  Negative charged surface: 200.917  Volume: 241.875
  Hydrophobic surface: 388.742  Hydrophilic surface: 134.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.