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CHEMBRIDGE-ZINC00569606

 MMsINC code: MMs00632437
Type: Neutral
Formula: C18H20ClNO4
SMILES:   Clc1cc(OC)c(NC(=O)c2ccc(OC(C)C)cc2)cc1OC
InChI:   InChI=1/C18H20ClNO4/c1-11(2)24-13-7-5-12(6-8-13)18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-11H,1-4H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.814 g/mol  logS: -4.89472  SlogP: 4.3967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265579  Sterimol/B1: 2.22912  Sterimol/B2: 4.05124  Sterimol/B3: 5.38094
  Sterimol/B4: 6.48909  Sterimol/L: 18.2856 
 
 Surface and Volume Properties
  Accessible surface: 619.721  Positive charged surface: 402.429  Negative charged surface: 217.292  Volume: 324.5
  Hydrophobic surface: 531.382  Hydrophilic surface: 88.339
 
 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.