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PUBCHEM-ZINC05650746

 MMsINC code: MMs03337065
Type: Neutral
Formula: C10H12Cl2O2
SMILES:   Clc1cc(Cl)ccc1OCCOCC
InChI:   InChI=1/C10H12Cl2O2/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.2076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.11 g/mol  logS: -3.37369  SlogP: 3.4087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055133  Sterimol/B1: 2.51563  Sterimol/B2: 3.67945  Sterimol/B3: 4.03429
  Sterimol/B4: 4.62188  Sterimol/L: 15.0669 
 
 Surface and Volume Properties
  Accessible surface: 459.467  Positive charged surface: 249.631  Negative charged surface: 209.836  Volume: 209
  Hydrophobic surface: 430.322  Hydrophilic surface: 29.145
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.