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CHEMBRIDGE-ZINC00094353

 MMsINC code: MMs00587450
Type: Neutral
Formula: C18H20ClNO4
SMILES:   Clc1ccccc1OCC(=O)NCCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C18H20ClNO4/c1-22-16-8-7-13(11-17(16)23-2)9-10-20-18(21)12-24-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.814 g/mol  logS: -4.27225  SlogP: 3.09487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441389  Sterimol/B1: 2.17347  Sterimol/B2: 4.21889  Sterimol/B3: 4.57704
  Sterimol/B4: 7.29952  Sterimol/L: 20.6419 
 
 Surface and Volume Properties
  Accessible surface: 645.619  Positive charged surface: 422.596  Negative charged surface: 223.023  Volume: 328.75
  Hydrophobic surface: 570.109  Hydrophilic surface: 75.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.