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PUBCHEM-ZINC06093082

 MMsINC code: MMs03539282
Type: Neutral
Formula: C12H8Cl3NO2
SMILES:   Clc1cc(Cl)cc(Cl)c1Oc1ccc(NO)cc1
InChI:   InChI=1/C12H8Cl3NO2/c13-7-5-10(14)12(11(15)6-7)18-9-3-1-8(16-17)2-4-9/h1-6,16-17H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.1298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.56 g/mol  logS: -4.89473  SlogP: 5.2402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114646  Sterimol/B1: 3.15703  Sterimol/B2: 4.74875  Sterimol/B3: 4.75153
  Sterimol/B4: 5.17889  Sterimol/L: 14.0763 
 
 Surface and Volume Properties
  Accessible surface: 479.036  Positive charged surface: 177.071  Negative charged surface: 301.965  Volume: 242
  Hydrophobic surface: 395.766  Hydrophilic surface: 83.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.