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NCID-ZINC01572549

 MMsINC code: MMs02232245
Type: Ionized
Formula: C4H4N3O4-
SMILES:   O=C1NC(NC(=O)N1)C(=O)[O-]
InChI:   InChI=1/C4H5N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h1H,(H,8,9)(H3,5,6,7,10,11)/p-1

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Potential Energy
Epot(MMFF94)=-40.3986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.093 g/mol  logS: -0.11872  SlogP: -2.9152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572056  Sterimol/B1: 2.51821  Sterimol/B2: 2.57968  Sterimol/B3: 4.00977
  Sterimol/B4: 4.01042  Sterimol/L: 8.82441 
 
 Surface and Volume Properties
  Accessible surface: 290.054  Positive charged surface: 145.912  Negative charged surface: 144.142  Volume: 114.5
  Hydrophobic surface: 19.6794  Hydrophilic surface: 270.3746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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:


MMs02232244
NCID-ZINC01572549