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NCID-ZINC01576306

 MMsINC code: MMs02234891
Type: Ionized
Formula: C11H19N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(C(=O)[O-])C)C
InChI:   InChI=1/C11H20N2O5/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16)/p-1/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=22.222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.282 g/mol  logS: -1.90484  SlogP: -0.8458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785489  Sterimol/B1: 2.20586  Sterimol/B2: 2.52547  Sterimol/B3: 4.41037
  Sterimol/B4: 5.72951  Sterimol/L: 15.6959 
 
 Surface and Volume Properties
  Accessible surface: 507.727  Positive charged surface: 320.665  Negative charged surface: 187.061  Volume: 248.125
  Hydrophobic surface: 269.307  Hydrophilic surface: 238.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs02234890
NCID-ZINC01576306