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CHEMBRIDGE-ZINC02845706

 MMsINC code: MMs00725745
Type: Neutral
Formula: C18H20ClNO6
SMILES:   Clc1cc(OC)c(NC(=O)c2cc(OC)c(OC)cc2OC)cc1OC
InChI:   InChI=1/C18H20ClNO6/c1-22-13-9-17(26-5)16(25-4)6-10(13)18(21)20-12-8-14(23-2)11(19)7-15(12)24-3/h6-9H,1-5H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.812 g/mol  logS: -4.34106  SlogP: 3.6353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453078  Sterimol/B1: 2.3685  Sterimol/B2: 2.45278  Sterimol/B3: 4.41508
  Sterimol/B4: 9.79484  Sterimol/L: 17.5903 
 
 Surface and Volume Properties
  Accessible surface: 648.221  Positive charged surface: 504.119  Negative charged surface: 144.102  Volume: 340.625
  Hydrophobic surface: 589.91  Hydrophilic surface: 58.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.