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PUBCHEM-ZINC05459419

 MMsINC code: MMs03276069
Type: Neutral
Formula: C11H21NO2
SMILES:   O1CCCC1CNC(=O)CCCCC
InChI:   InChI=1/C11H21NO2/c1-2-3-4-7-11(13)12-9-10-6-5-8-14-10/h10H,2-9H2,1H3,(H,12,13)/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.21292  SlogP: 1.8619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0331529  Sterimol/B1: 3.096  Sterimol/B2: 3.16799  Sterimol/B3: 3.18713
  Sterimol/B4: 3.7752  Sterimol/L: 16.8917 
 
 Surface and Volume Properties
  Accessible surface: 472.259  Positive charged surface: 382.739  Negative charged surface: 89.5198  Volume: 217.375
  Hydrophobic surface: 392.455  Hydrophilic surface: 79.804
 
 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.