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PUBCHEM-ZINC03651332

 MMsINC code: MMs03034125
Type: Ionized
Formula: C10H17N2O5-
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NCC(=O)[O-])C
InChI:   InChI=1/C10H18N2O5/c1-6(8(15)11-5-7(13)14)12-9(16)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,16)(H,13,14)/p-1/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=17.2233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.255 g/mol  logS: -1.57763  SlogP: -1.2343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691264  Sterimol/B1: 2.18414  Sterimol/B2: 2.75334  Sterimol/B3: 4.2229
  Sterimol/B4: 5.67884  Sterimol/L: 15.8676 
 
 Surface and Volume Properties
  Accessible surface: 492.081  Positive charged surface: 309.222  Negative charged surface: 182.858  Volume: 230.875
  Hydrophobic surface: 250.299  Hydrophilic surface: 241.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs03034124
PUBCHEM-ZINC03651332