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NCID-ZINC01857909

 MMsINC code: MMs02372704
Type: Ionized
Formula: C7H6N3O5-
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)/p-1

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Potential Energy
Epot(MMFF94)=-5.323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.141 g/mol  logS: -1.21362  SlogP: -3.0766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159981  Sterimol/B1: 2.35026  Sterimol/B2: 2.37754  Sterimol/B3: 4.21001
  Sterimol/B4: 5.15677  Sterimol/L: 11.8254 
 
 Surface and Volume Properties
  Accessible surface: 361.898  Positive charged surface: 184.041  Negative charged surface: 177.857  Volume: 164.25
  Hydrophobic surface: 99.7318  Hydrophilic surface: 262.1662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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:


MMs02372703
NCID-ZINC01857909