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PUBCHEM-ZINC06484682

 MMsINC code: MMs03760859
Type: Neutral
Formula: C9H11IO2
SMILES:   ICc1cc(OC)c(OC)cc1
InChI:   InChI=1/C9H11IO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.6165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.089 g/mol  logS: -3.26747  SlogP: 2.9052  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0628386  Sterimol/B1: 2.46051  Sterimol/B2: 4.11485  Sterimol/B3: 4.40232
  Sterimol/B4: 5.65275  Sterimol/L: 11.6437 
 
 Surface and Volume Properties
  Accessible surface: 409.859  Positive charged surface: 259.867  Negative charged surface: 149.993  Volume: 191
  Hydrophobic surface: 392.007  Hydrophilic surface: 17.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.