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PUBCHEM-ZINC05905938

 MMsINC code: MMs03438425
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NCCCNC(=O)C(C)C)C(C)C
InChI:   InChI=1/C11H22N2O2/c1-8(2)10(14)12-6-5-7-13-11(15)9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=5.96932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -0.95925  SlogP: 0.9209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345667  Sterimol/B1: 2.82552  Sterimol/B2: 2.94009  Sterimol/B3: 3.70806
  Sterimol/B4: 3.8823  Sterimol/L: 17.0118 
 
 Surface and Volume Properties
  Accessible surface: 492.692  Positive charged surface: 362.932  Negative charged surface: 129.76  Volume: 231.75
  Hydrophobic surface: 335.487  Hydrophilic surface: 157.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.