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PUBCHEM-ZINC06857094

 MMsINC code: MMs03877396
Type: Neutral
Formula: C15H10Cl2O4
SMILES:   Clc1cc(cc(Cl)c1OC(=O)C)-c1ccc(cc1)C(O)=O
InChI:   InChI=1/C15H10Cl2O4/c1-8(18)21-14-12(16)6-11(7-13(14)17)9-2-4-10(5-3-9)15(19)20/h2-7H,1H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.0186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.147 g/mol  logS: -5.60276  SlogP: 4.2839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144517  Sterimol/B1: 2.87904  Sterimol/B2: 3.0414  Sterimol/B3: 4.67372
  Sterimol/B4: 4.82498  Sterimol/L: 16.9696 
 
 Surface and Volume Properties
  Accessible surface: 519.533  Positive charged surface: 199.349  Negative charged surface: 308.549  Volume: 270.375
  Hydrophobic surface: 390.431  Hydrophilic surface: 129.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03877397
PUBCHEM-ZINC06857094