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MDPI-ZINC03848555

 MMsINC code: MMs02181858
Type: Neutral
Formula: C11H21N2O2+
SMILES:   O=C(NC1CC([N+](=O)C(C1)(C)C)(C)C)C
InChI:   InChI=1/C11H20N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3/p+1

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Potential Energy
Epot(MMFF94)=62.6099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -1.92873  SlogP: 1.621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223604  Sterimol/B1: 3.40203  Sterimol/B2: 3.47704  Sterimol/B3: 4.44197
  Sterimol/B4: 5.17047  Sterimol/L: 11.7411 
 
 Surface and Volume Properties
  Accessible surface: 425.78  Positive charged surface: 286.684  Negative charged surface: 139.096  Volume: 221
  Hydrophobic surface: 292.934  Hydrophilic surface: 132.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.