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ASINEX-ZINC00969509

 MMsINC code: MMs00226604
Type: Neutral
Formula: C7H7N3O5
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)

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Potential Energy
Epot(MMFF94)=-12.6915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.149 g/mol  logS: -0.88026  SlogP: -2.0895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00791542  Sterimol/B1: 2.37416  Sterimol/B2: 2.37496  Sterimol/B3: 2.66123
  Sterimol/B4: 5.66818  Sterimol/L: 13.1585 
 
 Surface and Volume Properties
  Accessible surface: 376.095  Positive charged surface: 206.576  Negative charged surface: 169.518  Volume: 165.5
  Hydrophobic surface: 75.8096  Hydrophilic surface: 300.2854
 
 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


MMs00226605
ASINEX-ZINC00969509