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PUBCHEM-ZINC05973149

 MMsINC code: MMs03468636
Type: Neutral
Formula: C10H21NO2
SMILES:   O(C(=O)C(N)(CCCCCC)C)C
InChI:   InChI=1/C10H21NO2/c1-4-5-6-7-8-10(2,11)9(12)13-3/h4-8,11H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=35.8334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -2.60714  SlogP: 1.8472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063528  Sterimol/B1: 3.34733  Sterimol/B2: 3.40902  Sterimol/B3: 3.43668
  Sterimol/B4: 3.74392  Sterimol/L: 15.7613 
 
 Surface and Volume Properties
  Accessible surface: 449.869  Positive charged surface: 355.288  Negative charged surface: 94.5811  Volume: 210.625
  Hydrophobic surface: 334.877  Hydrophilic surface: 114.992
 
 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.