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CHEMBRIDGE-ZINC02931061

 MMsINC code: MMs00741960
Type: Neutral
Formula: C11H15Cl2NO2
SMILES:   Clc1c(OCCNCCOC)cccc1Cl
InChI:   InChI=1/C11H15Cl2NO2/c1-15-7-5-14-6-8-16-10-4-2-3-9(12)11(10)13/h2-4,14H,5-8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.5918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.152 g/mol  logS: -2.81342  SlogP: 2.6082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932997  Sterimol/B1: 2.56554  Sterimol/B2: 3.09654  Sterimol/B3: 5.52451
  Sterimol/B4: 5.79922  Sterimol/L: 14.8177 
 
 Surface and Volume Properties
  Accessible surface: 505.996  Positive charged surface: 326.172  Negative charged surface: 179.824  Volume: 239.25
  Hydrophobic surface: 486.386  Hydrophilic surface: 19.61
 
 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


MMs00741961
CHEMBRIDGE-ZINC02931061