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ASINEX-ZINC00969509

 MMsINC code: MMs00226605
Type: Ionized
Formula: C7H6N3O5-
SMILES:   O=C1NC(=O)NC(=C1)C(=O)NCC(=O)[O-]
InChI:   InChI=1/C7H7N3O5/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15)/p-1

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Potential Energy
Epot(MMFF94)=-16.3036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.141 g/mol  logS: -1.14071  SlogP: -3.4242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227152  Sterimol/B1: 2.32513  Sterimol/B2: 2.66636  Sterimol/B3: 2.67888
  Sterimol/B4: 5.72921  Sterimol/L: 12.7813 
 
 Surface and Volume Properties
  Accessible surface: 376.987  Positive charged surface: 185.496  Negative charged surface: 191.491  Volume: 162.5
  Hydrophobic surface: 83.8385  Hydrophilic surface: 293.1485
 
 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:


MMs00226604
ASINEX-ZINC00969509