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ASINEX-ZINC00078210

 MMsINC code: MMs00070621
Type: Neutral
Formula: C7H4INO4
SMILES:   Ic1cc2OCOc2cc1[N+](=O)[O-]
InChI:   InChI=1/C7H4INO4/c8-4-1-6-7(13-3-12-6)2-5(4)9(10)11/h1-2H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.016 g/mol  logS: -3.12173  SlogP: 1.9281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200869  Sterimol/B1: 2.16717  Sterimol/B2: 2.71125  Sterimol/B3: 2.77094
  Sterimol/B4: 5.87238  Sterimol/L: 11.0931 
 
 Surface and Volume Properties
  Accessible surface: 354.018  Positive charged surface: 141.505  Negative charged surface: 212.513  Volume: 164.25
  Hydrophobic surface: 230.971  Hydrophilic surface: 123.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.