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OAKWOOD-ZINC02569646

 MMsINC code: MMs02546378
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C1NCCCCC1NC(OC(C)(C)C)=O
InChI:   InChI=1/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=31.8893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.74828  SlogP: 1.1798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940469  Sterimol/B1: 1.98437  Sterimol/B2: 3.34393  Sterimol/B3: 4.31894
  Sterimol/B4: 5.06263  Sterimol/L: 13.8431 
 
 Surface and Volume Properties
  Accessible surface: 459.019  Positive charged surface: 336.608  Negative charged surface: 122.411  Volume: 226.75
  Hydrophobic surface: 303.036  Hydrophilic surface: 155.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.