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PUBCHEM-ZINC05525285

 MMsINC code: MMs03297303
Type: Neutral
Formula: C18H20Cl2N2O3
SMILES:   Clc1cc(NC(=O)N(CCc2cc(OC)c(OC)cc2)C)ccc1Cl
InChI:   InChI=1/C18H20Cl2N2O3/c1-22(18(23)21-13-5-6-14(19)15(20)11-13)9-8-12-4-7-16(24-2)17(10-12)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.3667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.275 g/mol  logS: -4.72091  SlogP: 4.71697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198416  Sterimol/B1: 1.97147  Sterimol/B2: 2.89986  Sterimol/B3: 3.05494
  Sterimol/B4: 9.04693  Sterimol/L: 20.0239 
 
 Surface and Volume Properties
  Accessible surface: 645.936  Positive charged surface: 407.349  Negative charged surface: 238.587  Volume: 345.375
  Hydrophobic surface: 599.566  Hydrophilic surface: 46.37
 
 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.