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PUBCHEM-ZINC02584144

 MMsINC code: MMs02904520
Type: Ionized
Formula: C14H9Cl2O3-
SMILES:   Clc1ccccc1COc1ccc(Cl)cc1C(=O)[O-]
InChI:   InChI=1/C14H10Cl2O3/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,17,18)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.7173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.129 g/mol  logS: -4.90159  SlogP: 3.2023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275056  Sterimol/B1: 2.77574  Sterimol/B2: 3.13338  Sterimol/B3: 3.69693
  Sterimol/B4: 6.21425  Sterimol/L: 15.2943 
 
 Surface and Volume Properties
  Accessible surface: 478.837  Positive charged surface: 176.706  Negative charged surface: 302.13  Volume: 251.625
  Hydrophobic surface: 398.353  Hydrophilic surface: 80.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02904519
PUBCHEM-ZINC02584144