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ASINEX-ZINC04838721

 MMsINC code: MMs00376812
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C(NCCC=1CCCCC=1)C(=O)NC
InChI:   InChI=1/C11H18N2O2/c1-12-10(14)11(15)13-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=28.3608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.90303  SlogP: 0.7391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530834  Sterimol/B1: 3.15597  Sterimol/B2: 3.47916  Sterimol/B3: 3.62068
  Sterimol/B4: 3.69444  Sterimol/L: 15.9712 
 
 Surface and Volume Properties
  Accessible surface: 461.983  Positive charged surface: 357.405  Negative charged surface: 104.578  Volume: 215.375
  Hydrophobic surface: 338.225  Hydrophilic surface: 123.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.