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IBS-ZINC02083246

 MMsINC code: MMs01781718
Type: Ionized
Formula: C7H6N3O5-
SMILES:   O=C1NC(=O)NC(=O)C1=CNCC(=O)[O-]
InChI:   InChI=1/C7H7N3O5/c11-4(12)2-8-1-3-5(13)9-7(15)10-6(3)14/h1,8H,2H2,(H,11,12)(H2,9,10,13,14,15)/p-1

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Potential Energy
Epot(MMFF94)=-5.1154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.141 g/mol  logS: -0.83318  SlogP: -3.4242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00933814  Sterimol/B1: 2.37567  Sterimol/B2: 2.37605  Sterimol/B3: 3.79016
  Sterimol/B4: 4.26103  Sterimol/L: 13.4071 
 
 Surface and Volume Properties
  Accessible surface: 375.568  Positive charged surface: 193.855  Negative charged surface: 181.713  Volume: 163
  Hydrophobic surface: 80.1714  Hydrophilic surface: 295.3966
 
 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:


MMs01781717
IBS-ZINC02083246