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CHEMBRIDGE-ZINC02134992

 MMsINC code: MMs00702965
Type: Neutral
Formula: C14H8Cl4N2O2
SMILES:   Clc1cc(Cl)cc(\C=N\N=C\c2cc(Cl)cc(Cl)c2O)c1O
InChI:   InChI=1/C14H8Cl4N2O2/c15-9-1-7(13(21)11(17)3-9)5-19-20-6-8-2-10(16)4-12(18)14(8)22/h1-6,21-22H/b19-5+,20-6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.042 g/mol  logS: -5.70616  SlogP: 5.1644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00253864  Sterimol/B1: 2.1889  Sterimol/B2: 2.27264  Sterimol/B3: 3.60258
  Sterimol/B4: 6.39108  Sterimol/L: 17.0958 
 
 Surface and Volume Properties
  Accessible surface: 569.257  Positive charged surface: 212.159  Negative charged surface: 357.098  Volume: 295
  Hydrophobic surface: 466.414  Hydrophilic surface: 102.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.