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ASINEX-ZINC00476366

 MMsINC code: MMs00136707
Type: Neutral
Formula: C12H21NO2
SMILES:   O1CCCC1C(=O)NC1CCCCCC1
InChI:   InChI=1/C12H21NO2/c14-12(11-8-5-9-15-11)13-10-6-3-1-2-4-7-10/h10-11H,1-9H2,(H,13,14)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=48.6093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.305 g/mol  logS: -2.44449  SlogP: 2.0044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821701  Sterimol/B1: 2.72587  Sterimol/B2: 3.27433  Sterimol/B3: 4.01718
  Sterimol/B4: 4.75001  Sterimol/L: 13.5918 
 
 Surface and Volume Properties
  Accessible surface: 441.629  Positive charged surface: 345.353  Negative charged surface: 96.2764  Volume: 220.75
  Hydrophobic surface: 386.352  Hydrophilic surface: 55.277
 
 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.