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CHEMBRIDGE-ZINC02273428

 MMsINC code: MMs00705782
Type: Ionized
Formula: C10H15N2O7-
SMILES:   O(C(=O)CN(NC(=O)CCC(=O)[O-])CC(OC)=O)C
InChI:   InChI=1/C10H16N2O7/c1-18-9(16)5-12(6-10(17)19-2)11-7(13)3-4-8(14)15/h3-6H2,1-2H3,(H,11,13)(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=56.3718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.237 g/mol  logS: -0.37245  SlogP: -2.8043  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.116486  Sterimol/B1: 2.89166  Sterimol/B2: 2.98565  Sterimol/B3: 3.70965
  Sterimol/B4: 8.02852  Sterimol/L: 11.9943 
 
 Surface and Volume Properties
  Accessible surface: 489.637  Positive charged surface: 322.836  Negative charged surface: 166.801  Volume: 240.75
  Hydrophobic surface: 273.719  Hydrophilic surface: 215.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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:


MMs00705781
CHEMBRIDGE-ZINC02273428