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PUBCHEM-ZINC01841169

 MMsINC code: MMs02821635
Type: Neutral
Formula: C15H12Cl2O2
SMILES:   Clc1ccc(cc1)C(CC(O)=O)c1ccc(Cl)cc1
InChI:   InChI=1/C15H12Cl2O2/c16-12-5-1-10(2-6-12)14(9-15(18)19)11-3-7-13(17)8-4-11/h1-8,14H,9H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.165 g/mol  logS: -4.40871  SlogP: 4.6  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.275721  Sterimol/B1: 2.72982  Sterimol/B2: 4.83462  Sterimol/B3: 5.49339
  Sterimol/B4: 5.50433  Sterimol/L: 13.6572 
 
 Surface and Volume Properties
  Accessible surface: 495.085  Positive charged surface: 210.339  Negative charged surface: 284.746  Volume: 258
  Hydrophobic surface: 409.532  Hydrophilic surface: 85.553
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02821636
PUBCHEM-ZINC01841169