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NCID-ZINC05340232

 MMsINC code: MMs02452901
Type: Neutral
Formula: C10H10N4O4
SMILES:   O=[N+]([O-])c1cc([N+](=O)[O-])ccc1N\N=C(/C=C)\C
InChI:   InChI=1/C10H10N4O4/c1-3-7(2)11-12-9-5-4-8(13(15)16)6-10(9)14(17)18/h3-6,12H,1H2,2H3/b11-7+

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Potential Energy
Epot(MMFF94)=92.5253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.214 g/mol  logS: -3.62186  SlogP: 2.4768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00906984  Sterimol/B1: 2.20365  Sterimol/B2: 2.62856  Sterimol/B3: 3.65321
  Sterimol/B4: 5.9695  Sterimol/L: 13.958 
 
 Surface and Volume Properties
  Accessible surface: 448.588  Positive charged surface: 175.49  Negative charged surface: 273.098  Volume: 213.75
  Hydrophobic surface: 240.619  Hydrophilic surface: 207.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.