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BACHEM-ZINC01576305

 MMsINC code: MMs00482349
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-/m0/s1

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Potential Energy
Epot(MMFF94)=22.1339 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: 0.0630466  Sterimol/B1: 2.08267  Sterimol/B2: 3.08662  Sterimol/B3: 4.03812
  Sterimol/B4: 6.13226  Sterimol/L: 15.8504 
 
 Surface and Volume Properties
  Accessible surface: 513.564  Positive charged surface: 320.778  Negative charged surface: 192.786  Volume: 247.75
  Hydrophobic surface: 270.143  Hydrophilic surface: 243.421
 
 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:


MMs00482348
BACHEM-ZINC01576305