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PUBCHEM-ZINC01217950

 MMsINC code: MMs02789644
Type: Neutral
Formula: C13H23NO2
SMILES:   O1CCCC1CNC(=O)CCC1CCCC1
InChI:   InChI=1/C13H23NO2/c15-13(8-7-11-4-1-2-5-11)14-10-12-6-3-9-16-12/h11-12H,1-10H2,(H,14,15)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=29.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -3.14132  SlogP: 2.252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330552  Sterimol/B1: 2.45416  Sterimol/B2: 2.75933  Sterimol/B3: 3.18046
  Sterimol/B4: 4.89145  Sterimol/L: 16.7156 
 
 Surface and Volume Properties
  Accessible surface: 501.279  Positive charged surface: 408.658  Negative charged surface: 92.6214  Volume: 242.5
  Hydrophobic surface: 443.143  Hydrophilic surface: 58.136
 
 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.