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PUBCHEM-ZINC05284618

 MMsINC code: MMs03232560
Type: Neutral
Formula: C12H21NO2
SMILES:   O1C2C(CCCC2)C(NC1=O)CC(C)C
InChI:   InChI=1/C12H21NO2/c1-8(2)7-10-9-5-3-4-6-11(9)15-12(14)13-10/h8-11H,3-7H2,1-2H3,(H,13,14)/t9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=13.1706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.305 g/mol  logS: -2.89389  SlogP: 2.6997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126722  Sterimol/B1: 2.11216  Sterimol/B2: 3.70422  Sterimol/B3: 4.80738
  Sterimol/B4: 6.24932  Sterimol/L: 12.6088 
 
 Surface and Volume Properties
  Accessible surface: 425.452  Positive charged surface: 305.976  Negative charged surface: 119.475  Volume: 220.375
  Hydrophobic surface: 304.973  Hydrophilic surface: 120.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.