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CHEMBLOCK-ZINC04603059

 MMsINC code: MMs00561451
Type: Neutral
Formula: C16H15Cl4NO2
SMILES:   Clc1cc(Cl)ccc1OCCNCCOc1ccc(Cl)cc1Cl
InChI:   InChI=1/C16H15Cl4NO2/c17-11-1-3-15(13(19)9-11)22-7-5-21-6-8-23-16-4-2-12(18)10-14(16)20/h1-4,9-10,21H,5-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.8085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.113 g/mol  logS: -5.98408  SlogP: 5.3476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097567  Sterimol/B1: 3.87182  Sterimol/B2: 3.98289  Sterimol/B3: 5.6283
  Sterimol/B4: 6.01747  Sterimol/L: 18.6169 
 
 Surface and Volume Properties
  Accessible surface: 647.208  Positive charged surface: 283.768  Negative charged surface: 363.44  Volume: 330.875
  Hydrophobic surface: 635.356  Hydrophilic surface: 11.852
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00561452
CHEMBLOCK-ZINC04603059