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PUBCHEM-ZINC00360161

 MMsINC code: MMs02662381
Type: Neutral
Formula: C16H28N2O2
SMILES:   O=C(N(C(=O)NC1CCCCC1)C1CCCCC1)CC
InChI:   InChI=1/C16H28N2O2/c1-2-15(19)18(14-11-7-4-8-12-14)16(20)17-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,17,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.9254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.412 g/mol  logS: -3.03706  SlogP: 3.6  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149924  Sterimol/B1: 2.54641  Sterimol/B2: 3.41266  Sterimol/B3: 3.90371
  Sterimol/B4: 9.85524  Sterimol/L: 13.2731 
 
 Surface and Volume Properties
  Accessible surface: 532.687  Positive charged surface: 407.169  Negative charged surface: 125.519  Volume: 291.625
  Hydrophobic surface: 467.371  Hydrophilic surface: 65.316
 
 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.