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PUBCHEM-ZINC05502123

 MMsINC code: MMs03289318
Type: Neutral
Formula: C11H22N2O2
SMILES:   O1CCN(CC1)C(=O)NCCCCCC
InChI:   InChI=1/C11H22N2O2/c1-2-3-4-5-6-12-11(14)13-7-9-15-10-8-13/h2-10H2,1H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.54915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.86446  SlogP: 1.6085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344766  Sterimol/B1: 3.08509  Sterimol/B2: 3.30017  Sterimol/B3: 3.6304
  Sterimol/B4: 4.59012  Sterimol/L: 16.7679 
 
 Surface and Volume Properties
  Accessible surface: 481.047  Positive charged surface: 402.633  Negative charged surface: 78.4133  Volume: 230.25
  Hydrophobic surface: 401.889  Hydrophilic surface: 79.158
 
 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.