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PUBCHEM-ZINC05567498

MMsINC code: MMs03308976

Type: Neutral
Formula: C13H10Cl4N2
SMILES:   Clc1c(NCNc2cccc(Cl)c2Cl)cccc1Cl
InChI:   InChI=1/C13H10Cl4N2/c14-8-3-1-5-10(12(8)16)18-7-19-11-6-2-4-9(15)13(11)17/h1-6,18-19H,7H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=74.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.049 g/mol  logS: -5.4148  SlogP: 5.7817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907539  Sterimol/B1: 3.10761  Sterimol/B2: 3.57234  Sterimol/B3: 4.33391
  Sterimol/B4: 5.97407  Sterimol/L: 14.6015 
 
 Surface and Volume Properties
  Accessible surface: 518.055  Positive charged surface: 181.602  Negative charged surface: 336.452  Volume: 271.375
  Hydrophobic surface: 490.234  Hydrophilic surface: 27.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.