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PUBCHEM-ZINC02516826

 MMsINC code: MMs02891517
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C=O
InChI:   InChI=1/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=30.8807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -2.41353  SlogP: 2.1247  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117816  Sterimol/B1: 2.54716  Sterimol/B2: 2.63877  Sterimol/B3: 4.12811
  Sterimol/B4: 6.16072  Sterimol/L: 13.1184 
 
 Surface and Volume Properties
  Accessible surface: 462.492  Positive charged surface: 325.149  Negative charged surface: 137.343  Volume: 227.375
  Hydrophobic surface: 288.162  Hydrophilic surface: 174.33
 
 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.