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CHEMBLOCK-ZINC03148304

 MMsINC code: MMs00537120
Type: Neutral
Formula: C15H10Cl4N2O2
SMILES:   Clc1cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c1ccccc1Cl
InChI:   InChI=1/C15H10Cl4N2O2/c16-10-5-12(18)15(13(19)6-10)23-8-14(22)21-20-7-9-3-1-2-4-11(9)17/h1-7H,8H2,(H,21,22)/b20-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.069 g/mol  logS: -6.55213  SlogP: 4.8293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388594  Sterimol/B1: 3.05072  Sterimol/B2: 4.74404  Sterimol/B3: 4.755
  Sterimol/B4: 4.90337  Sterimol/L: 19.9041 
 
 Surface and Volume Properties
  Accessible surface: 600.138  Positive charged surface: 231.188  Negative charged surface: 368.949  Volume: 313
  Hydrophobic surface: 523.923  Hydrophilic surface: 76.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.