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PUBCHEM-ZINC00426313

 MMsINC code: MMs02682280
Type: Neutral
Formula: C13H18N2O2
SMILES:   o1nc(c2CCCCc12)C(=O)NC1CCCC1
InChI:   InChI=1/C13H18N2O2/c16-13(14-9-5-1-2-6-9)12-10-7-3-4-8-11(10)17-15-12/h9H,1-8H2,(H,14,16)

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Potential Energy
Epot(MMFF94)=41.7647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.299 g/mol  logS: -2.37501  SlogP: 2.22574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609492  Sterimol/B1: 2.45801  Sterimol/B2: 3.1515  Sterimol/B3: 3.84466
  Sterimol/B4: 5.17205  Sterimol/L: 14.7335 
 
 Surface and Volume Properties
  Accessible surface: 460.679  Positive charged surface: 338.887  Negative charged surface: 121.792  Volume: 230.625
  Hydrophobic surface: 395.128  Hydrophilic surface: 65.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.