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PUBCHEM-ZINC03704641

 MMsINC code: MMs03050677
Type: Neutral
Formula: C10H8Cl2N2O2
SMILES:   Clc1cc(Cl)cc(-c2noc(N)c2)c1OC
InChI:   InChI=1/C10H8Cl2N2O2/c1-15-10-6(2-5(11)3-7(10)12)8-4-9(13)16-14-8/h2-4H,13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.092 g/mol  logS: -3.97751  SlogP: 3.2392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265536  Sterimol/B1: 2.16083  Sterimol/B2: 2.48479  Sterimol/B3: 3.16748
  Sterimol/B4: 8.51939  Sterimol/L: 12.5779 
 
 Surface and Volume Properties
  Accessible surface: 425.885  Positive charged surface: 208.223  Negative charged surface: 217.661  Volume: 210.25
  Hydrophobic surface: 317.21  Hydrophilic surface: 108.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.