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PUBCHEM-ZINC06762213

 MMsINC code: MMs03855555
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)NCCC(C)C)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-7(2)5-6-12-11(16)13-9(8(3)4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=11.7643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.89034  SlogP: 1.4409  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0630167  Sterimol/B1: 2.29033  Sterimol/B2: 2.46357  Sterimol/B3: 4.70604
  Sterimol/B4: 4.97983  Sterimol/L: 15.5455 
 
 Surface and Volume Properties
  Accessible surface: 485.407  Positive charged surface: 344.665  Negative charged surface: 140.742  Volume: 236.75
  Hydrophobic surface: 278.843  Hydrophilic surface: 206.564
 
 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


MMs03855556
PUBCHEM-ZINC06762213