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NCID-ZINC01857909

 MMsINC code: MMs02372703
Type: Neutral
Formula: C7H7N3O5
SMILES:   O=C1NC(=O)NC(C(O)=O)=C1NC(=O)C
InChI:   InChI=1/C7H7N3O5/c1-2(11)8-3-4(6(13)14)9-7(15)10-5(3)12/h1H3,(H,8,11)(H,13,14)(H2,9,10,12,15)

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Potential Energy
Epot(MMFF94)=17.0219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.149 g/mol  logS: -0.95317  SlogP: -1.7419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472729  Sterimol/B1: 2.61988  Sterimol/B2: 2.98502  Sterimol/B3: 4.22869
  Sterimol/B4: 5.36103  Sterimol/L: 11.3601 
 
 Surface and Volume Properties
  Accessible surface: 371.322  Positive charged surface: 215.046  Negative charged surface: 156.277  Volume: 164.125
  Hydrophobic surface: 95.9219  Hydrophilic surface: 275.4001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02372704
NCID-ZINC01857909