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PUBCHEM-ZINC06255862

 MMsINC code: MMs03641294
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(C(=O)C(NC(=O)NCC(C)C)C(C)C)C
InChI:   InChI=1/C11H22N2O3/c1-7(2)6-12-11(15)13-9(8(3)4)10(14)16-5/h7-9H,6H2,1-5H3,(H2,12,13,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=13.7188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.474  SlogP: 1.1392  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0866822  Sterimol/B1: 2.71851  Sterimol/B2: 4.06595  Sterimol/B3: 4.17551
  Sterimol/B4: 4.49343  Sterimol/L: 15.4571 
 
 Surface and Volume Properties
  Accessible surface: 486.118  Positive charged surface: 364.314  Negative charged surface: 121.804  Volume: 239.25
  Hydrophobic surface: 328.803  Hydrophilic surface: 157.315
 
 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.