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PUBCHEM-ZINC05479792

 MMsINC code: MMs03281215
Type: Ionized
Formula: C5H6N2O5-2
SMILES:   O=C([O-])CN(CC(=O)[O-])C(=O)N
InChI:   InChI=1/C5H8N2O5/c6-5(12)7(1-3(8)9)2-4(10)11/h1-2H2,(H2,6,12)(H,8,9)(H,10,11)/p-2

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Potential Energy
Epot(MMFF94)=18.9537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.112 g/mol  logS: -0.11691  SlogP: -4.1331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160847  Sterimol/B1: 3.04559  Sterimol/B2: 3.19581  Sterimol/B3: 3.32118
  Sterimol/B4: 5.257  Sterimol/L: 10.2412 
 
 Surface and Volume Properties
  Accessible surface: 322.192  Positive charged surface: 155.575  Negative charged surface: 166.617  Volume: 134.25
  Hydrophobic surface: 65.6813  Hydrophilic surface: 256.5107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  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:


MMs03281214
PUBCHEM-ZINC05479792