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ENAMINE-ZINC04206554

 MMsINC code: MMs01534302
Type: Neutral
Formula: C10H10Cl2O2
SMILES:   Clc1cc(cc2OCCCOc12)CCl
InChI:   InChI=1/C10H10Cl2O2/c11-6-7-4-8(12)10-9(5-7)13-2-1-3-14-10/h4-5H,1-3,6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.094 g/mol  logS: -3.30938  SlogP: 3.5065  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0667506  Sterimol/B1: 2.29447  Sterimol/B2: 2.9522  Sterimol/B3: 4.29486
  Sterimol/B4: 6.47641  Sterimol/L: 11.3263 
 
 Surface and Volume Properties
  Accessible surface: 404.446  Positive charged surface: 218.201  Negative charged surface: 186.246  Volume: 198.75
  Hydrophobic surface: 306.941  Hydrophilic surface: 97.505
 
 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.