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PUBCHEM-ZINC05966378

 MMsINC code: MMs03466167
Type: Neutral
Formula: C13H25NO
SMILES:   O=C1N(CCCCCCCCCCC1)C
InChI:   InChI=1/C13H25NO/c1-14-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.2955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -3.38451  SlogP: 3.3594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211025  Sterimol/B1: 2.31312  Sterimol/B2: 4.4973  Sterimol/B3: 4.5581
  Sterimol/B4: 5.74655  Sterimol/L: 10.8082 
 
 Surface and Volume Properties
  Accessible surface: 427.38  Positive charged surface: 340.731  Negative charged surface: 86.6493  Volume: 242.75
  Hydrophobic surface: 394.901  Hydrophilic surface: 32.479
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.