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PUBCHEM-ZINC06042419

 MMsINC code: MMs03509194
Type: Neutral
Formula: C12H23NO2
SMILES:   O1CCCC1C(=O)NC(CCCCC)C
InChI:   InChI=1/C12H23NO2/c1-3-4-5-7-10(2)13-12(14)11-8-6-9-15-11/h10-11H,3-9H2,1-2H3,(H,13,14)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=26.7838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -2.85998  SlogP: 2.2504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063229  Sterimol/B1: 2.65374  Sterimol/B2: 2.86897  Sterimol/B3: 3.198
  Sterimol/B4: 7.5902  Sterimol/L: 14.2222 
 
 Surface and Volume Properties
  Accessible surface: 486.794  Positive charged surface: 378.861  Negative charged surface: 107.933  Volume: 237.375
  Hydrophobic surface: 392.217  Hydrophilic surface: 94.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.