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PUBCHEM-ZINC06042146

 MMsINC code: MMs03509014
Type: Neutral
Formula: C11H21NO2
SMILES:   O1CCCC1C(=O)NCCCCCC
InChI:   InChI=1/C11H21NO2/c1-2-3-4-5-8-12-11(13)10-7-6-9-14-10/h10H,2-9H2,1H3,(H,12,13)/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.1783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.53277  SlogP: 1.8619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324097  Sterimol/B1: 2.66857  Sterimol/B2: 2.98592  Sterimol/B3: 3.13632
  Sterimol/B4: 4.42299  Sterimol/L: 16.8334 
 
 Surface and Volume Properties
  Accessible surface: 474.887  Positive charged surface: 378.707  Negative charged surface: 96.1801  Volume: 218
  Hydrophobic surface: 391.503  Hydrophilic surface: 83.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.