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CHEMDIV-ZINC02031349

 MMsINC code: MMs00870014
Type: Neutral
Formula: C26H18Cl2N2O3
SMILES:   Clc1ccccc1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1
InChI:   InChI=1/C26H18Cl2N2O3/c27-23-7-3-1-5-21(23)25(31)29-17-9-13-19(14-10-17)33-20-15-11-18(12-16-20)30-26(32)22-6-2-4-8-24(22)28/h1-16H,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.347 g/mol  logS: -8.57615  SlogP: 7.2903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311217  Sterimol/B1: 2.4163  Sterimol/B2: 4.11191  Sterimol/B3: 5.91171
  Sterimol/B4: 6.33279  Sterimol/L: 23.22 
 
 Surface and Volume Properties
  Accessible surface: 753.626  Positive charged surface: 358.411  Negative charged surface: 395.215  Volume: 421.5
  Hydrophobic surface: 698.28  Hydrophilic surface: 55.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.