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PUBCHEM-ZINC04102234

 MMsINC code: MMs03091729
Type: Neutral
Formula: C11H19NO3
SMILES:   O1CCC(NC(=O)CCCCCC)C1=O
InChI:   InChI=1/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=22.7196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -2.7919  SlogP: 1.3885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358905  Sterimol/B1: 3.00406  Sterimol/B2: 3.13144  Sterimol/B3: 3.43626
  Sterimol/B4: 3.47126  Sterimol/L: 16.9734 
 
 Surface and Volume Properties
  Accessible surface: 468.631  Positive charged surface: 353.242  Negative charged surface: 115.389  Volume: 219.125
  Hydrophobic surface: 343.027  Hydrophilic surface: 125.604
 
 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.