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CHEMSTAR-ZINC03851032

 MMsINC code: MMs01085774
Type: Neutral
Formula: C12H10N4O4
SMILES:   O=[N+]([O-])c1cc([N+](=O)[O-])ccc1NNc1ccccc1
InChI:   InChI=1/C12H10N4O4/c17-15(18)10-6-7-11(12(8-10)16(19)20)14-13-9-4-2-1-3-5-9/h1-8,13-14H

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Potential Energy
Epot(MMFF94)=105.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.236 g/mol  logS: -4.10138  SlogP: 2.942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00240006  Sterimol/B1: 2.28472  Sterimol/B2: 2.56044  Sterimol/B3: 4.14595
  Sterimol/B4: 5.06935  Sterimol/L: 15.6996 
 
 Surface and Volume Properties
  Accessible surface: 471.007  Positive charged surface: 179.607  Negative charged surface: 291.4  Volume: 230
  Hydrophobic surface: 302.68  Hydrophilic surface: 168.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.