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CHEMBLOCK-ZINC04529683

 MMsINC code: MMs00555285
Type: Neutral
Formula: C7H5I2NO3
SMILES:   Ic1cc([N+](=O)[O-])cc(I)c1OC
InChI:   InChI=1/C7H5I2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.1496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.929 g/mol  logS: -4.20853  SlogP: 2.8126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403433  Sterimol/B1: 2.08751  Sterimol/B2: 3.31711  Sterimol/B3: 5.37337
  Sterimol/B4: 5.37656  Sterimol/L: 11.3137 
 
 Surface and Volume Properties
  Accessible surface: 397.155  Positive charged surface: 112.135  Negative charged surface: 285.021  Volume: 200
  Hydrophobic surface: 308.095  Hydrophilic surface: 89.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.