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PUBCHEM-ZINC05526196

 MMsINC code: MMs03297532
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C10H19NO2/c1-13-10(12)11-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.0892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -2.34151  SlogP: 2.4553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195144  Sterimol/B1: 3.24164  Sterimol/B2: 3.88895  Sterimol/B3: 4.32474
  Sterimol/B4: 4.36281  Sterimol/L: 12.2161 
 
 Surface and Volume Properties
  Accessible surface: 397.41  Positive charged surface: 316.298  Negative charged surface: 81.1115  Volume: 194.375
  Hydrophobic surface: 340.163  Hydrophilic surface: 57.247
 
 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.