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ACROSORGANICS-ZINC03861303

 MMsINC code: MMs00015827
Type: Neutral
Formula: C10H11IO4+2
SMILES:   [I+2](OC(=O)C)(OC(=O)C)c1ccccc1
InChI:   InChI=1/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.4028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.098 g/mol  logS: -3.17054  SlogP: 1.4331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114927  Sterimol/B1: 2.47788  Sterimol/B2: 3.13255  Sterimol/B3: 3.91374
  Sterimol/B4: 8.37113  Sterimol/L: 13.0025 
 
 Surface and Volume Properties
  Accessible surface: 462.189  Positive charged surface: 243.575  Negative charged surface: 218.613  Volume: 218
  Hydrophobic surface: 393.741  Hydrophilic surface: 68.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.