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PUBCHEM-ZINC06904625

 MMsINC code: MMs03895386
Type: Neutral
Formula: C16H32N2O5
SMILES:   O1CCN(CCOCCOCCOCC1)C(=O)CCCCCN
InChI:   InChI=1/C16H32N2O5/c17-5-3-1-2-4-16(19)18-6-8-20-10-12-22-14-15-23-13-11-21-9-7-18/h1-15,17H2

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Potential Energy
Epot(MMFF94)=142.778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.441 g/mol  logS: -0.55511  SlogP: 0.4141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.250133  Sterimol/B1: 2.41139  Sterimol/B2: 4.92837  Sterimol/B3: 6.14381
  Sterimol/B4: 7.35288  Sterimol/L: 15.6662 
 
 Surface and Volume Properties
  Accessible surface: 611.977  Positive charged surface: 547.842  Negative charged surface: 64.135  Volume: 336.375
  Hydrophobic surface: 501.432  Hydrophilic surface: 110.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs03895387
PUBCHEM-ZINC06904625