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PUBCHEM-ZINC00396725

 MMsINC code: MMs02673675
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1c(Cl)c(Cl)ccc1OC(=O)Nc1ccccc1
InChI:   InChI=1/C13H8Cl3NO2/c14-9-6-7-10(12(16)11(9)15)19-13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.571 g/mol  logS: -5.59899  SlogP: 5.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789392  Sterimol/B1: 3.23968  Sterimol/B2: 3.82614  Sterimol/B3: 4.21632
  Sterimol/B4: 5.2085  Sterimol/L: 15.367 
 
 Surface and Volume Properties
  Accessible surface: 500.727  Positive charged surface: 189.105  Negative charged surface: 311.623  Volume: 255
  Hydrophobic surface: 454.559  Hydrophilic surface: 46.168
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.