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CHEMBRIDGE-ZINC00556509

 MMsINC code: MMs00632160
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1cccc(NC(=O)c2ccc(OC)cc2)c1N1CCOCC1
InChI:   InChI=1/C18H19ClN2O3/c1-23-14-7-5-13(6-8-14)18(22)20-16-4-2-3-15(19)17(16)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=190.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -4.35843  SlogP: 3.4375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683628  Sterimol/B1: 3.17848  Sterimol/B2: 3.75837  Sterimol/B3: 4.24598
  Sterimol/B4: 7.33034  Sterimol/L: 16.0058 
 
 Surface and Volume Properties
  Accessible surface: 570.332  Positive charged surface: 375.617  Negative charged surface: 194.715  Volume: 316.25
  Hydrophobic surface: 509.042  Hydrophilic surface: 61.29
 
 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.