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PUBCHEM-ZINC05644721

 MMsINC code: MMs03333405
Type: Neutral
Formula: C20H23Cl2NO2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1C(C)C
InChI:   InChI=1/C20H23Cl2NO2/c1-14(2)17-7-4-3-6-15(17)13-23-20(24)8-5-11-25-19-10-9-16(21)12-18(19)22/h3-4,6-7,9-10,12,14H,5,8,11,13H2,1-2H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.5807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.315 g/mol  logS: -6.43236  SlogP: 5.8586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633437  Sterimol/B1: 2.62131  Sterimol/B2: 3.42186  Sterimol/B3: 5.50901
  Sterimol/B4: 6.78564  Sterimol/L: 20.3141 
 
 Surface and Volume Properties
  Accessible surface: 675.21  Positive charged surface: 358.595  Negative charged surface: 316.615  Volume: 361.625
  Hydrophobic surface: 590.297  Hydrophilic surface: 84.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.