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NCID-ZINC01643528

 MMsINC code: MMs02284963
Type: Neutral
Formula: C12H22N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NCCC(O)=O)(C)C
InChI:   InChI=1/C12H22N2O5/c1-11(2,3)19-10(18)14-12(4,5)9(17)13-7-6-8(15)16/h6-7H2,1-5H3,(H,13,17)(H,14,18)(H,15,16)

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Potential Energy
Epot(MMFF94)=33.8339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.317 g/mol  logS: -1.52631  SlogP: 0.8806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780506  Sterimol/B1: 2.52334  Sterimol/B2: 4.6291  Sterimol/B3: 4.62955
  Sterimol/B4: 5.08286  Sterimol/L: 15.6335 
 
 Surface and Volume Properties
  Accessible surface: 531.615  Positive charged surface: 356.591  Negative charged surface: 175.024  Volume: 265.5
  Hydrophobic surface: 285.928  Hydrophilic surface: 245.687
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02284964
NCID-ZINC01643528