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NCID-ZINC05767477

 MMsINC code: MMs02497233
Type: Neutral
Formula: C7H5I2NO2
SMILES:   Ic1cc(I)cc(\C=N\O)c1O
InChI:   InChI=1/C7H5I2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H/b10-3+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.8882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.93 g/mol  logS: -2.8273  SlogP: 2.4095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00682095  Sterimol/B1: 2.43378  Sterimol/B2: 2.55881  Sterimol/B3: 3.33267
  Sterimol/B4: 7.1147  Sterimol/L: 11.9223 
 
 Surface and Volume Properties
  Accessible surface: 402.988  Positive charged surface: 141.987  Negative charged surface: 261.001  Volume: 190.875
  Hydrophobic surface: 281.478  Hydrophilic surface: 121.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.