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NCID-ZINC06006900

 MMsINC code: MMs02516285
Type: Neutral
Formula: C12H10IO2+
SMILES:   [I+](c1cc(O)c(O)cc1)c1ccccc1
InChI:   InChI=1/C12H9IO2/c14-11-7-6-10(8-12(11)15)13-9-4-2-1-3-5-9/h1-8H,(H-,14,15)/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.114 g/mol  logS: -3.34598  SlogP: -0.7738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617828  Sterimol/B1: 2.29971  Sterimol/B2: 3.71447  Sterimol/B3: 4.05489
  Sterimol/B4: 5.28895  Sterimol/L: 13.5454 
 
 Surface and Volume Properties
  Accessible surface: 448.87  Positive charged surface: 227.326  Negative charged surface: 221.544  Volume: 218
  Hydrophobic surface: 351.475  Hydrophilic surface: 97.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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.