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PUBCHEM-ZINC05458697

 MMsINC code: MMs03275839
Type: Neutral
Formula: C16H33NO
SMILES:   O=C(N(CCCCC)CCCCC)CCCCC
InChI:   InChI=1/C16H33NO/c1-4-7-10-13-16(18)17(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.33513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.446 g/mol  logS: -4.53075  SlogP: 4.7757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534517  Sterimol/B1: 2.54972  Sterimol/B2: 2.74797  Sterimol/B3: 3.56396
  Sterimol/B4: 11.0185  Sterimol/L: 16.963 
 
 Surface and Volume Properties
  Accessible surface: 616.608  Positive charged surface: 487.551  Negative charged surface: 129.057  Volume: 310.25
  Hydrophobic surface: 520.606  Hydrophilic surface: 96.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.