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PUBCHEM-ZINC05517955

 MMsINC code: MMs03295385
Type: Neutral
Formula: C10H6INO2
SMILES:   Ic1c2c(cccc2)c([N+](=O)[O-])cc1
InChI:   InChI=1/C10H6INO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.5748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.067 g/mol  logS: -5.04451  SlogP: 3.3526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00940732  Sterimol/B1: 2.40121  Sterimol/B2: 2.48756  Sterimol/B3: 3.16025
  Sterimol/B4: 7.69842  Sterimol/L: 10.2049 
 
 Surface and Volume Properties
  Accessible surface: 381.019  Positive charged surface: 109.519  Negative charged surface: 261.119  Volume: 189.125
  Hydrophobic surface: 306.087  Hydrophilic surface: 74.932
 
 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.