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PUBCHEM-ZINC05594063

 MMsINC code: MMs03317578
Type: Neutral
Formula: C10H6N4O3
SMILES:   O=C1N(O)C(=O)N=C2Nc3c(N=C12)cccc3
InChI:   InChI=1/C10H6N4O3/c15-9-7-8(13-10(16)14(9)17)12-6-4-2-1-3-5(6)11-7/h1-4,17H,(H,12,13,16)

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Potential Energy
Epot(MMFF94)=74.7062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.183 g/mol  logS: -2.85429  SlogP: 0.9345  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.6168e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09858  Sterimol/B3: 3.3529
  Sterimol/B4: 4.6633  Sterimol/L: 12.9879 
 
 Surface and Volume Properties
  Accessible surface: 383.203  Positive charged surface: 195.47  Negative charged surface: 187.733  Volume: 188.25
  Hydrophobic surface: 174.198  Hydrophilic surface: 209.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.