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PUBCHEM-ZINC06777649

 MMsINC code: MMs03858141
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(=O)C(N)CCCCCC(=O)CC)C
InChI:   InChI=1/C11H21NO3/c1-3-9(13)7-5-4-6-8-10(12)11(14)15-2/h10H,3-8,12H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=30.2324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.233  SlogP: 1.4163  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0317365  Sterimol/B1: 2.57143  Sterimol/B2: 3.2418  Sterimol/B3: 3.85245
  Sterimol/B4: 4.04975  Sterimol/L: 17.63 
 
 Surface and Volume Properties
  Accessible surface: 496.273  Positive charged surface: 392.707  Negative charged surface: 103.566  Volume: 229.875
  Hydrophobic surface: 357.331  Hydrophilic surface: 138.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.