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PUBCHEM-ZINC06126551

 MMsINC code: MMs03550348
Type: Neutral
Formula: C11H21NO2
SMILES:   O(CCNC(=O)CCC1CCCC1)C
InChI:   InChI=1/C11H21NO2/c1-14-9-8-12-11(13)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.58894  SlogP: 1.7194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480681  Sterimol/B1: 2.42676  Sterimol/B2: 2.62425  Sterimol/B3: 3.81078
  Sterimol/B4: 4.94372  Sterimol/L: 15.7589 
 
 Surface and Volume Properties
  Accessible surface: 469.588  Positive charged surface: 400.729  Negative charged surface: 68.8587  Volume: 218.125
  Hydrophobic surface: 415.825  Hydrophilic surface: 53.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.