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CHEMBRIDGE-ZINC00991712

 MMsINC code: MMs00650366
Type: Neutral
Formula: C20H15Cl2NO3
SMILES:   Clc1cc(Cl)ccc1Oc1ccc(NC(=O)c2cc(OC)ccc2)cc1
InChI:   InChI=1/C20H15Cl2NO3/c1-25-17-4-2-3-13(11-17)20(24)23-15-6-8-16(9-7-15)26-19-10-5-14(21)12-18(19)22/h2-12H,1H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.71 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.25 g/mol  logS: -6.65654  SlogP: 6.0466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435781  Sterimol/B1: 2.28623  Sterimol/B2: 4.39277  Sterimol/B3: 4.80558
  Sterimol/B4: 5.50799  Sterimol/L: 20.3084 
 
 Surface and Volume Properties
  Accessible surface: 634.381  Positive charged surface: 313.273  Negative charged surface: 321.108  Volume: 341.625
  Hydrophobic surface: 586.007  Hydrophilic surface: 48.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.