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PUBCHEM-ZINC06762906

 MMsINC code: MMs03856332
Type: Neutral
Formula: C9H18N2O3
SMILES:   OC(=O)C(NC(=O)NC(C)C)C(C)C
InChI:   InChI=1/C9H18N2O3/c1-5(2)7(8(12)13)11-9(14)10-6(3)4/h5-7H,1-4H3,(H,12,13)(H2,10,11,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=2.07616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -0.98534  SlogP: 0.8032  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.1116  Sterimol/B1: 1.969  Sterimol/B2: 3.52482  Sterimol/B3: 4.57122
  Sterimol/B4: 5.09984  Sterimol/L: 12.6139 
 
 Surface and Volume Properties
  Accessible surface: 419.688  Positive charged surface: 288.445  Negative charged surface: 131.243  Volume: 202.625
  Hydrophobic surface: 213.941  Hydrophilic surface: 205.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03856333
PUBCHEM-ZINC06762906