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PUBCHEM-ZINC05133746

 MMsINC code: MMs03208662
Type: Neutral
Formula: C13H25NO
SMILES:   O=C1NCCCCCCCCCCCC1
InChI:   InChI=1/C13H25NO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-13/h1-12H2,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -4.00572  SlogP: 3.4073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159328  Sterimol/B1: 2.73165  Sterimol/B2: 2.88895  Sterimol/B3: 3.30242
  Sterimol/B4: 7.74832  Sterimol/L: 10.8651 
 
 Surface and Volume Properties
  Accessible surface: 427.039  Positive charged surface: 346.587  Negative charged surface: 80.4524  Volume: 240.75
  Hydrophobic surface: 388.277  Hydrophilic surface: 38.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.