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PUBCHEM-ZINC06621902

 MMsINC code: MMs03825509
Type: Neutral
Formula: C10H9N5O4
SMILES:   OC=1NC(=O)NC(=O)C=1\C=N\c1nc(cc(O)n1)C
InChI:   InChI=1/C10H9N5O4/c1-4-2-6(16)13-9(12-4)11-3-5-7(17)14-10(19)15-8(5)18/h2-3H,1H3,(H,12,13,16)(H3,14,15,17,18,19)/b11-3+

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Potential Energy
Epot(MMFF94)=-22.7592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.213 g/mol  logS: -2.10441  SlogP: -0.19808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00579783  Sterimol/B1: 2.08643  Sterimol/B2: 2.35545  Sterimol/B3: 2.5038
  Sterimol/B4: 6.44163  Sterimol/L: 14.8294 
 
 Surface and Volume Properties
  Accessible surface: 462.481  Positive charged surface: 296.715  Negative charged surface: 165.767  Volume: 213.625
  Hydrophobic surface: 152.711  Hydrophilic surface: 309.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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: no related molecules available.