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PUBCHEM-ZINC04672854

 MMsINC code: MMs03151685
Type: Neutral
Formula: C28H52N2O2
SMILES:   O=C(NC1CCCCCCCCCCC1)CCC(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C28H52N2O2/c31-27(29-25-19-15-11-7-3-1-4-8-12-16-20-25)23-24-28(32)30-26-21-17-13-9-5-2-6-10-14-18-22-26/h25-26H,1-24H2,(H,29,31)(H,30,32)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=215.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.736 g/mol  logS: -8.82444  SlogP: 7.3456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123178  Sterimol/B1: 2.55109  Sterimol/B2: 5.04532  Sterimol/B3: 5.04626
  Sterimol/B4: 6.98378  Sterimol/L: 17.0251 
 
 Surface and Volume Properties
  Accessible surface: 760.795  Positive charged surface: 578.131  Negative charged surface: 182.664  Volume: 493.125
  Hydrophobic surface: 710.438  Hydrophilic surface: 50.357
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.