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PUBCHEM-ZINC02016234

 MMsINC code: MMs02852338
Type: Neutral
Formula: C16H15Cl3O2
SMILES:   ClC(Cl)(Cl)C(c1ccc(O)cc1C)c1ccc(O)cc1C
InChI:   InChI=1/C16H15Cl3O2/c1-9-7-11(20)3-5-13(9)15(16(17,18)19)14-6-4-12(21)8-10(14)2/h3-8,15,20-21H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.31 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.653 g/mol  logS: -5.69407  SlogP: 5.63664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213255  Sterimol/B1: 2.0788  Sterimol/B2: 3.01656  Sterimol/B3: 5.52494
  Sterimol/B4: 6.80813  Sterimol/L: 13.3345 
 
 Surface and Volume Properties
  Accessible surface: 505.387  Positive charged surface: 223.651  Negative charged surface: 281.736  Volume: 294.125
  Hydrophobic surface: 269.293  Hydrophilic surface: 236.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.