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PUBCHEM-ZINC06262597

 MMsINC code: MMs03645427
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CN(C)C)C(OC)=O
InChI:   InChI=1/C11H22N2O4/c1-11(2,3)17-10(15)12-8(7-13(4)5)9(14)16-6/h8H,7H2,1-6H3,(H,12,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=46.2889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.12762  SlogP: 0.6143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114085  Sterimol/B1: 3.20388  Sterimol/B2: 3.61764  Sterimol/B3: 4.60702
  Sterimol/B4: 6.48628  Sterimol/L: 12.8141 
 
 Surface and Volume Properties
  Accessible surface: 506.638  Positive charged surface: 411.28  Negative charged surface: 95.358  Volume: 248.375
  Hydrophobic surface: 388.064  Hydrophilic surface: 118.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.