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CHEMSTAR-ZINC01683205

 MMsINC code: MMs01079016
Type: Neutral
Formula: C14H10N2O4
SMILES:   O=[N+]([O-])c1ccc(cc1)\C=C\c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.4972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.244 g/mol  logS: -5.83952  SlogP: 3.6734  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.90978e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10323  Sterimol/B3: 2.48756
  Sterimol/B4: 5.33046  Sterimol/L: 17.2839 
 
 Surface and Volume Properties
  Accessible surface: 486.173  Positive charged surface: 173.004  Negative charged surface: 313.169  Volume: 239
  Hydrophobic surface: 320.007  Hydrophilic surface: 166.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.