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PUBCHEM-ZINC02529355

 MMsINC code: MMs02893983
Type: Neutral
Formula: C11H11NO3
SMILES:   OC1CC(=O)N(Cc2ccccc2)C1=O
InChI:   InChI=1/C11H11NO3/c13-9-6-10(14)12(11(9)15)7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=14.9943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.213 g/mol  logS: -1.64055  SlogP: 0.5728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173021  Sterimol/B1: 2.46228  Sterimol/B2: 3.53199  Sterimol/B3: 4.54207
  Sterimol/B4: 4.68909  Sterimol/L: 11.2791 
 
 Surface and Volume Properties
  Accessible surface: 393.217  Positive charged surface: 229.329  Negative charged surface: 163.888  Volume: 191.125
  Hydrophobic surface: 268.662  Hydrophilic surface: 124.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.