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CHEMBLOCK-ZINC06668422

 MMsINC code: MMs00582663
Type: Neutral
Formula: C19H17ClN2O3
SMILES:   Clc1ccc(cc1)CC(=O)NCc1onc(c1)-c1ccc(OC)cc1
InChI:   InChI=1/C19H17ClN2O3/c1-24-16-8-4-14(5-9-16)18-11-17(25-22-18)12-21-19(23)10-13-2-6-15(20)7-3-13/h2-9,11H,10,12H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.9401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.809 g/mol  logS: -5.3395  SlogP: 4.12887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211028  Sterimol/B1: 2.49097  Sterimol/B2: 3.0242  Sterimol/B3: 3.67839
  Sterimol/B4: 6.30885  Sterimol/L: 22.1973 
 
 Surface and Volume Properties
  Accessible surface: 641.673  Positive charged surface: 357.799  Negative charged surface: 283.874  Volume: 327.125
  Hydrophobic surface: 550.828  Hydrophilic surface: 90.845
 
 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.