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ASINEX-ZINC04384626

 MMsINC code: MMs00329376
Type: Neutral
Formula: C11H16N2O2
SMILES:   O(CCC(=O)Nc1nccc(c1)C)CC
InChI:   InChI=1/C11H16N2O2/c1-3-15-7-5-11(14)13-10-8-9(2)4-6-12-10/h4,6,8H,3,5,7H2,1-2H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=26.2973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.261 g/mol  logS: -1.46578  SlogP: 1.75512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143787  Sterimol/B1: 2.53745  Sterimol/B2: 2.54521  Sterimol/B3: 2.98717
  Sterimol/B4: 4.86718  Sterimol/L: 16.8149 
 
 Surface and Volume Properties
  Accessible surface: 472.527  Positive charged surface: 353.399  Negative charged surface: 119.128  Volume: 214.125
  Hydrophobic surface: 382.508  Hydrophilic surface: 90.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.