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ASINEX-ZINC02477705

 MMsINC code: MMs00272529
Type: Neutral
Formula: C11H20N2O3
SMILES:   OCCCNC(=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C11H20N2O3/c14-8-4-7-12-10(15)11(16)13-9-5-2-1-3-6-9/h9,14H,1-8H2,(H,12,15)(H,13,16)

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Potential Energy
Epot(MMFF94)=25.4006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.40605  SlogP: -0.0661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341164  Sterimol/B1: 2.91631  Sterimol/B2: 3.41053  Sterimol/B3: 3.44658
  Sterimol/B4: 3.95713  Sterimol/L: 17.2002 
 
 Surface and Volume Properties
  Accessible surface: 491.069  Positive charged surface: 377.218  Negative charged surface: 113.851  Volume: 227.125
  Hydrophobic surface: 337.937  Hydrophilic surface: 153.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.