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NCID-ZINC01643528

 MMsINC code: MMs02284964
Type: Ionized
Formula: C12H21N2O5-
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)/p-1

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Potential Energy
Epot(MMFF94)=8.12264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.309 g/mol  logS: -1.78676  SlogP: -0.4541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106058  Sterimol/B1: 2.58327  Sterimol/B2: 4.45724  Sterimol/B3: 5.39039
  Sterimol/B4: 5.61597  Sterimol/L: 14.8004 
 
 Surface and Volume Properties
  Accessible surface: 538.885  Positive charged surface: 348.468  Negative charged surface: 190.417  Volume: 266.5
  Hydrophobic surface: 303.303  Hydrophilic surface: 235.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02284963
NCID-ZINC01643528