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PUBCHEM-ZINC05353694

 MMsINC code: MMs03246208
Type: Neutral
Formula: C10H18N2O3
SMILES:   O=C1NCCCC1NC(OC(C)(C)C)=O
InChI:   InChI=1/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=29.6617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.54651  SlogP: 0.7897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.079043  Sterimol/B1: 2.31355  Sterimol/B2: 3.05545  Sterimol/B3: 3.73233
  Sterimol/B4: 5.18299  Sterimol/L: 13.5514 
 
 Surface and Volume Properties
  Accessible surface: 437.262  Positive charged surface: 325.559  Negative charged surface: 111.703  Volume: 208.625
  Hydrophobic surface: 279.533  Hydrophilic surface: 157.729
 
 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.