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PUBCHEM-ZINC06264883

 MMsINC code: MMs03646631
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)C(NC(=O)NCCC)C(C)C)C
InChI:   InChI=1/C10H20N2O3/c1-5-6-11-10(14)12-8(7(2)3)9(13)15-4/h7-8H,5-6H2,1-4H3,(H2,11,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=6.5471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.27223  SlogP: 0.8932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0711191  Sterimol/B1: 3.09252  Sterimol/B2: 3.71177  Sterimol/B3: 4.26233
  Sterimol/B4: 4.36075  Sterimol/L: 15.4153 
 
 Surface and Volume Properties
  Accessible surface: 467.565  Positive charged surface: 354.491  Negative charged surface: 113.074  Volume: 223.625
  Hydrophobic surface: 318.419  Hydrophilic surface: 149.146
 
 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.