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PUBCHEM-ZINC05382474

 MMsINC code: MMs03253003
Type: Neutral
Formula: C11H19NO2
SMILES:   O1CCCC1CNC(=O)C1CCCC1
InChI:   InChI=1/C11H19NO2/c13-11(9-4-1-2-5-9)12-8-10-6-3-7-14-10/h9-10H,1-8H2,(H,12,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=27.8435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -1.79743  SlogP: 1.4718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664007  Sterimol/B1: 2.35643  Sterimol/B2: 2.90633  Sterimol/B3: 3.77166
  Sterimol/B4: 4.80436  Sterimol/L: 14.22 
 
 Surface and Volume Properties
  Accessible surface: 441.295  Positive charged surface: 353.952  Negative charged surface: 87.3424  Volume: 207.125
  Hydrophobic surface: 394.391  Hydrophilic surface: 46.904
 
 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.