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CHEMBRIDGE-ZINC02836883

 MMsINC code: MMs00723087
Type: Neutral
Formula: C18H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCc1ccc(cc1)C(=O)NCCN(C)C
InChI:   InChI=1/C18H20Cl2N2O2/c1-22(2)10-9-21-18(23)14-5-3-13(4-6-14)12-24-17-8-7-15(19)11-16(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.8829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.276 g/mol  logS: -4.71576  SlogP: 4.1302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318378  Sterimol/B1: 2.98912  Sterimol/B2: 3.81347  Sterimol/B3: 4.68123
  Sterimol/B4: 5.12374  Sterimol/L: 21.8203 
 
 Surface and Volume Properties
  Accessible surface: 656.158  Positive charged surface: 376.937  Negative charged surface: 279.221  Volume: 340
  Hydrophobic surface: 603.649  Hydrophilic surface: 52.509
 
 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


MMs00723088
CHEMBRIDGE-ZINC02836883