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PUBCHEM-ZINC05860285

 MMsINC code: MMs03421727
Type: Neutral
Formula: C13H26N2O2
SMILES:   O1CCN(CC1)C(=O)NC(CCCCCC)C
InChI:   InChI=1/C13H26N2O2/c1-3-4-5-6-7-12(2)14-13(16)15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.1751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -2.70689  SlogP: 2.3871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766909  Sterimol/B1: 2.41491  Sterimol/B2: 3.23581  Sterimol/B3: 4.13805
  Sterimol/B4: 7.44013  Sterimol/L: 16.2004 
 
 Surface and Volume Properties
  Accessible surface: 532.001  Positive charged surface: 436.334  Negative charged surface: 95.6664  Volume: 266.75
  Hydrophobic surface: 444.94  Hydrophilic surface: 87.061
 
 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.