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AURORAFEINCHEMIE-ZINC02524553

MMsINC code: MMs00453777

Type: Neutral
Formula: C22H17Cl3O2
SMILES:   Clc1cc(Cl)cc(Cl)c1OC(=O)C(Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C22H17Cl3O2/c23-18-13-19(24)21(20(25)14-18)27-22(26)17(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=83.3319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.735 g/mol  logS: -7.34913  SlogP: 6.65374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122769  Sterimol/B1: 3.9555  Sterimol/B2: 3.99652  Sterimol/B3: 4.02625
  Sterimol/B4: 8.43552  Sterimol/L: 17.4236 
 
 Surface and Volume Properties
  Accessible surface: 641.825  Positive charged surface: 269.586  Negative charged surface: 372.239  Volume: 369.875
  Hydrophobic surface: 633.271  Hydrophilic surface: 8.5540000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.