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PUBCHEM-ZINC00398082

 MMsINC code: MMs02674517
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1cccc(Cl)c1NC(Oc1ccccc1Cl)=O
InChI:   InChI=1/C13H8Cl3NO2/c14-8-4-1-2-7-11(8)19-13(18)17-12-9(15)5-3-6-10(12)16/h1-7H,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.6584 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: 0.0688325  Sterimol/B1: 2.19273  Sterimol/B2: 3.86802  Sterimol/B3: 4.98292
  Sterimol/B4: 5.2292  Sterimol/L: 14.2294 
 
 Surface and Volume Properties
  Accessible surface: 480.265  Positive charged surface: 188.307  Negative charged surface: 291.958  Volume: 254
  Hydrophobic surface: 439.669  Hydrophilic surface: 40.596
 
 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.