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CHEMBRIDGE-ZINC02466119

 MMsINC code: MMs00709693
Type: Neutral
Formula: C16H23Cl2NO
SMILES:   Clc1cc(Cl)ccc1OCCCCCCN1CCCC1
InChI:   InChI=1/C16H23Cl2NO/c17-14-7-8-16(15(18)13-14)20-12-6-2-1-3-9-19-10-4-5-11-19/h7-8,13H,1-6,9-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.272 g/mol  logS: -4.16119  SlogP: 5.0284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205594  Sterimol/B1: 2.52877  Sterimol/B2: 2.71621  Sterimol/B3: 3.43776
  Sterimol/B4: 6.40471  Sterimol/L: 20.5506 
 
 Surface and Volume Properties
  Accessible surface: 607.328  Positive charged surface: 382.259  Negative charged surface: 225.069  Volume: 307.375
  Hydrophobic surface: 601.837  Hydrophilic surface: 5.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00709694
CHEMBRIDGE-ZINC02466119