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PUBCHEM-ZINC02747330

 MMsINC code: MMs02915743
Type: Neutral
Formula: C16H28N2O2
SMILES:   O=C(N1CC(CCC1)C)CCC(=O)N1CC(CCC1)C
InChI:   InChI=1/C16H28N2O2/c1-13-5-3-9-17(11-13)15(19)7-8-16(20)18-10-4-6-14(2)12-18/h13-14H,3-12H2,1-2H3/t13-,14+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.412 g/mol  logS: -1.39938  SlogP: 2.2836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312172  Sterimol/B1: 2.92913  Sterimol/B2: 3.03436  Sterimol/B3: 3.33369
  Sterimol/B4: 5.70381  Sterimol/L: 17.5977 
 
 Surface and Volume Properties
  Accessible surface: 556.671  Positive charged surface: 441.994  Negative charged surface: 114.677  Volume: 299
  Hydrophobic surface: 453.308  Hydrophilic surface: 103.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.