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RSCI-ZINC00160516

 MMsINC code: MMs03911543
Type: Neutral
Formula: C11H11IO4
SMILES:   Ic1cc(cc(OC)c1OC)\C=C\C(O)=O
InChI:   InChI=1/C11H11IO4/c1-15-9-6-7(3-4-10(13)14)5-8(12)11(9)16-2/h3-6H,1-2H3,(H,13,14)/b4-3+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.109 g/mol  logS: -2.95238  SlogP: 2.4062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259579  Sterimol/B1: 2.09015  Sterimol/B2: 2.77952  Sterimol/B3: 2.9957
  Sterimol/B4: 8.94392  Sterimol/L: 14.0374 
 
 Surface and Volume Properties
  Accessible surface: 466.407  Positive charged surface: 262.465  Negative charged surface: 203.943  Volume: 229
  Hydrophobic surface: 352.102  Hydrophilic surface: 114.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03911544
RSCI-ZINC00160516