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PUBCHEM-ZINC06205706

 MMsINC code: MMs03613437
Type: Neutral
Formula: C11H22N2O4
SMILES:   O(C(C)(C)C)CC(NC(=O)NCC)C(OC)=O
InChI:   InChI=1/C11H22N2O4/c1-6-12-10(15)13-8(9(14)16-5)7-17-11(2,3)4/h8H,6-7H2,1-5H3,(H2,12,13,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=20.5793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.307 g/mol  logS: -1.46398  SlogP: 0.6622  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100156  Sterimol/B1: 3.10058  Sterimol/B2: 3.34458  Sterimol/B3: 3.93422
  Sterimol/B4: 7.34329  Sterimol/L: 14.6086 
 
 Surface and Volume Properties
  Accessible surface: 513.386  Positive charged surface: 386.636  Negative charged surface: 126.75  Volume: 247.875
  Hydrophobic surface: 347.595  Hydrophilic surface: 165.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.