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PUBCHEM-ZINC05428876

 MMsINC code: MMs03267692
Type: Neutral
Formula: C10H6INO2
SMILES:   Ic1cc2c(cc([N+](=O)[O-])cc2)cc1
InChI:   InChI=1/C10H6INO2/c11-9-3-1-8-6-10(12(13)14)4-2-7(8)5-9/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.2767 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: 1.34095e-07  Sterimol/B1: 2.35783  Sterimol/B2: 2.35817  Sterimol/B3: 2.54231
  Sterimol/B4: 5.8047  Sterimol/L: 13.4498 
 
 Surface and Volume Properties
  Accessible surface: 396.391  Positive charged surface: 113  Negative charged surface: 272.32  Volume: 191.25
  Hydrophobic surface: 313.421  Hydrophilic surface: 82.97
 
 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.