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PUBCHEM-ZINC03123910

 MMsINC code: MMs02997294
Type: Neutral
Formula: C10H12Cl2O2
SMILES:   ClCCOc1cc(OCCCl)ccc1
InChI:   InChI=1/C10H12Cl2O2/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8H,4-7H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.11 g/mol  logS: -3.0162  SlogP: 2.9218  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.030191  Sterimol/B1: 2.5648  Sterimol/B2: 3.48642  Sterimol/B3: 3.48927
  Sterimol/B4: 5.88619  Sterimol/L: 14.367 
 
 Surface and Volume Properties
  Accessible surface: 454.215  Positive charged surface: 245.049  Negative charged surface: 209.166  Volume: 208.625
  Hydrophobic surface: 307.438  Hydrophilic surface: 146.777
 
 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.