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PUBCHEM-ZINC02767534

 MMsINC code: MMs02920602
Type: Neutral
Formula: C9H16N2O2
SMILES:   O1CCN(CC1)C(=O)N1CCCC1
InChI:   InChI=1/C9H16N2O2/c12-9(10-3-1-2-4-10)11-5-7-13-8-6-11/h1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.9725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.239 g/mol  logS: -0.23621  SlogP: 0.5344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879656  Sterimol/B1: 2.78988  Sterimol/B2: 3.19901  Sterimol/B3: 3.77902
  Sterimol/B4: 4.46773  Sterimol/L: 11.9417 
 
 Surface and Volume Properties
  Accessible surface: 378.913  Positive charged surface: 320.303  Negative charged surface: 58.6101  Volume: 181.375
  Hydrophobic surface: 331.126  Hydrophilic surface: 47.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.