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PUBCHEM-ZINC05715007

 MMsINC code: MMs03356521
Type: Neutral
Formula: C11H21NO3
SMILES:   OC(C(CO)(C)C)C(=O)NC1CCCC1
InChI:   InChI=1/C11H21NO3/c1-11(2,7-13)9(14)10(15)12-8-5-3-4-6-8/h8-9,13-14H,3-7H2,1-2H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=49.8747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -0.91926  SlogP: 0.4246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189271  Sterimol/B1: 2.32252  Sterimol/B2: 3.58626  Sterimol/B3: 4.33004
  Sterimol/B4: 5.00842  Sterimol/L: 12.0434 
 
 Surface and Volume Properties
  Accessible surface: 417.715  Positive charged surface: 300.015  Negative charged surface: 117.699  Volume: 221.75
  Hydrophobic surface: 275.812  Hydrophilic surface: 141.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.