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NCID-ZINC05758519

 MMsINC code: MMs02494754
Type: Neutral
Formula: C12H10N4O5
SMILES:   OC=1NC(=O)NC(=O)C=1\C=N/Nc1ccccc1C(O)=O
InChI:   InChI=1/C12H10N4O5/c17-9-7(10(18)15-12(21)14-9)5-13-16-8-4-2-1-3-6(8)11(19)20/h1-5,16H,(H,19,20)(H3,14,15,17,18,21)/b13-5-

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Potential Energy
Epot(MMFF94)=30.1803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.235 g/mol  logS: -2.0038  SlogP: 0.3915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081188  Sterimol/B1: 3.4044  Sterimol/B2: 4.18061  Sterimol/B3: 4.34727
  Sterimol/B4: 5.38196  Sterimol/L: 13.5587 
 
 Surface and Volume Properties
  Accessible surface: 470.853  Positive charged surface: 286.387  Negative charged surface: 184.465  Volume: 236.625
  Hydrophobic surface: 197.006  Hydrophilic surface: 273.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs02494755
NCID-ZINC05758519