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PUBCHEM-ZINC00515154

 MMsINC code: MMs02698027
Type: Neutral
Formula: C13H10Cl2O
SMILES:   Clc1cc(ccc1Cl)COc1ccccc1
InChI:   InChI=1/C13H10Cl2O/c14-12-7-6-10(8-13(12)15)9-16-11-4-2-1-3-5-11/h1-8H,9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.128 g/mol  logS: -4.67174  SlogP: 4.8388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951751  Sterimol/B1: 3.52703  Sterimol/B2: 3.72555  Sterimol/B3: 3.81973
  Sterimol/B4: 4.47398  Sterimol/L: 15.3205 
 
 Surface and Volume Properties
  Accessible surface: 469.247  Positive charged surface: 193.86  Negative charged surface: 275.387  Volume: 227.375
  Hydrophobic surface: 458.715  Hydrophilic surface: 10.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.