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PUBCHEM-ZINC00403356

 MMsINC code: MMs02676493
Type: Neutral
Formula: C11H11NO4
SMILES:   O1CC(NC1=O)COC(=O)c1ccccc1
InChI:   InChI=1/C11H11NO4/c13-10(8-4-2-1-3-5-8)15-6-9-7-16-11(14)12-9/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=35.8264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.212 g/mol  logS: -2.16484  SlogP: 0.9518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469296  Sterimol/B1: 2.94395  Sterimol/B2: 3.28572  Sterimol/B3: 3.65631
  Sterimol/B4: 4.58902  Sterimol/L: 13.7453 
 
 Surface and Volume Properties
  Accessible surface: 429.986  Positive charged surface: 256.936  Negative charged surface: 173.05  Volume: 199.75
  Hydrophobic surface: 292.502  Hydrophilic surface: 137.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.