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CHEMBRIDGE-ZINC02898688

 MMsINC code: MMs00738391
Type: Neutral
Formula: C15H23Cl2NO
SMILES:   Clc1cc(Cl)ccc1OCCCCCNCCCC
InChI:   InChI=1/C15H23Cl2NO/c1-2-3-9-18-10-5-4-6-11-19-15-8-7-13(16)12-14(15)17/h7-8,12,18H,2-6,9-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.2007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.261 g/mol  logS: -4.32029  SlogP: 4.9322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122559  Sterimol/B1: 2.39017  Sterimol/B2: 2.41477  Sterimol/B3: 4.24841
  Sterimol/B4: 4.8268  Sterimol/L: 22.0553 
 
 Surface and Volume Properties
  Accessible surface: 616.389  Positive charged surface: 383.684  Negative charged surface: 232.705  Volume: 299
  Hydrophobic surface: 572.512  Hydrophilic surface: 43.877
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00738392
CHEMBRIDGE-ZINC02898688