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CHEMBLOCK-ZINC01054130

 MMsINC code: MMs00511134
Type: Neutral
Formula: C14H12INO2
SMILES:   Ic1ccc(NC(OCc2ccccc2)=O)cc1
InChI:   InChI=1/C14H12INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.3958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.159 g/mol  logS: -4.42321  SlogP: 4.3063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425456  Sterimol/B1: 2.92382  Sterimol/B2: 3.36805  Sterimol/B3: 3.57475
  Sterimol/B4: 4.00722  Sterimol/L: 18.1093 
 
 Surface and Volume Properties
  Accessible surface: 523.25  Positive charged surface: 243.119  Negative charged surface: 280.131  Volume: 258.125
  Hydrophobic surface: 458.191  Hydrophilic surface: 65.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.