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PUBCHEM-ZINC05591046

 MMsINC code: MMs03315704
Type: Neutral
Formula: C11H23NO2
SMILES:   O(CCNC(=O)C(CCCC)CC)C
InChI:   InChI=1/C11H23NO2/c1-4-6-7-10(5-2)11(13)12-8-9-14-3/h10H,4-9H2,1-3H3,(H,12,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=22.5763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -2.37753  SlogP: 1.9654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0872288  Sterimol/B1: 2.64664  Sterimol/B2: 2.70574  Sterimol/B3: 4.47662
  Sterimol/B4: 5.32757  Sterimol/L: 15.9622 
 
 Surface and Volume Properties
  Accessible surface: 482.58  Positive charged surface: 393.286  Negative charged surface: 89.2934  Volume: 226.25
  Hydrophobic surface: 398.466  Hydrophilic surface: 84.114
 
 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.