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PUBCHEM-ZINC03832590

 MMsINC code: MMs03077423
Type: Neutral
Formula: C15H10N4O4
SMILES:   O=[N+]([O-])c1cc(ccc1)-c1[nH]nc(c1)-c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C15H10N4O4/c20-18(21)12-6-4-10(5-7-12)14-9-15(17-16-14)11-2-1-3-13(8-11)19(22)23/h1-9H,(H,16,17)

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Potential Energy
Epot(MMFF94)=93.9984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.269 g/mol  logS: -6.19174  SlogP: 3.5601  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.2096e-07  Sterimol/B1: 2.09741  Sterimol/B2: 2.10347  Sterimol/B3: 2.55665
  Sterimol/B4: 6.11  Sterimol/L: 18.3156 
 
 Surface and Volume Properties
  Accessible surface: 516.27  Positive charged surface: 190.484  Negative charged surface: 325.786  Volume: 263.625
  Hydrophobic surface: 290.411  Hydrophilic surface: 225.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.