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PUBCHEM-ZINC00565314

 MMsINC code: MMs02704829
Type: Neutral
Formula: C11H16NO2+
SMILES:   O(C(=O)c1ccc([N+](C)(C)C)cc1)C
InChI:   InChI=1/C11H16NO2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3/q+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.254 g/mol  logS: -1.56364  SlogP: 1.6699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683509  Sterimol/B1: 2.37539  Sterimol/B2: 3.37742  Sterimol/B3: 4.09453
  Sterimol/B4: 4.77374  Sterimol/L: 12.9645 
 
 Surface and Volume Properties
  Accessible surface: 411.369  Positive charged surface: 333.799  Negative charged surface: 77.5693  Volume: 203.75
  Hydrophobic surface: 319.163  Hydrophilic surface: 92.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.