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PUBCHEM-ZINC01442796

 MMsINC code: MMs02806106
Type: Neutral
Formula: C11H19NO3
SMILES:   O=C1CCCCC1NC(OC(C)(C)C)=O
InChI:   InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=25.0159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.78898  SlogP: 2.0228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818343  Sterimol/B1: 2.10787  Sterimol/B2: 3.13819  Sterimol/B3: 4.59484
  Sterimol/B4: 4.72684  Sterimol/L: 13.7387 
 
 Surface and Volume Properties
  Accessible surface: 443.381  Positive charged surface: 316.299  Negative charged surface: 127.082  Volume: 217.625
  Hydrophobic surface: 317.245  Hydrophilic surface: 126.136
 
 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.