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PUBCHEM-ZINC02042822

 MMsINC code: MMs02863785
Type: Neutral
Formula: C11H15NO3
SMILES:   O(CCO)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C11H15NO3/c1-9(10-5-3-2-4-6-10)12-11(14)15-8-7-13/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=17.3236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.245 g/mol  logS: -1.7325  SlogP: 1.5616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0845579  Sterimol/B1: 2.14805  Sterimol/B2: 2.33267  Sterimol/B3: 4.58261
  Sterimol/B4: 5.97964  Sterimol/L: 14.176 
 
 Surface and Volume Properties
  Accessible surface: 456.839  Positive charged surface: 301.316  Negative charged surface: 155.524  Volume: 206.875
  Hydrophobic surface: 332.547  Hydrophilic surface: 124.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.