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NCID-ZINC05742330

 MMsINC code: MMs02493397
Type: Neutral
Formula: C6H5IO
SMILES:   [I+]([O-])c1ccccc1
InChI:   InChI=1/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.2234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.009 g/mol  logS: -2.22692  SlogP: -2.7795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441026  Sterimol/B1: 2.75993  Sterimol/B2: 3.1293  Sterimol/B3: 3.61748
  Sterimol/B4: 3.61782  Sterimol/L: 10.1117 
 
 Surface and Volume Properties
  Accessible surface: 308.987  Positive charged surface: 172.64  Negative charged surface: 136.348  Volume: 129
  Hydrophobic surface: 194.58  Hydrophilic surface: 114.407
 
 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.