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PUBCHEM-ZINC00473792

 MMsINC code: MMs02688121
Type: Neutral
Formula: C13H23NO2
SMILES:   O1CCCC1C(=O)NC1CCCCCCC1
InChI:   InChI=1/C13H23NO2/c15-13(12-9-6-10-16-12)14-11-7-4-2-1-3-5-8-11/h11-12H,1-10H2,(H,14,15)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=93.5385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -2.95971  SlogP: 2.3945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108783  Sterimol/B1: 2.4104  Sterimol/B2: 3.70141  Sterimol/B3: 4.35082
  Sterimol/B4: 4.701  Sterimol/L: 13.1671 
 
 Surface and Volume Properties
  Accessible surface: 457.329  Positive charged surface: 353.745  Negative charged surface: 103.584  Volume: 235.875
  Hydrophobic surface: 407.52  Hydrophilic surface: 49.809
 
 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.