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ENAMINE-ZINC02009867

MMsINC code: MMs01247520

Type: Ionized
Formula: C14H9Cl2O2-
SMILES:   Clc1ccccc1C(C(=O)[O-])c1ccc(Cl)cc1
InChI:   InChI=1/C14H10Cl2O2/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H,(H,17,18)/p-1/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=64.0684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.13 g/mol  logS: -4.78724  SlogP: 2.8752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238144  Sterimol/B1: 2.3781  Sterimol/B2: 2.64041  Sterimol/B3: 5.73741
  Sterimol/B4: 6.67744  Sterimol/L: 13.0713 
 
 Surface and Volume Properties
  Accessible surface: 463.227  Positive charged surface: 161.999  Negative charged surface: 301.227  Volume: 242.75
  Hydrophobic surface: 391.899  Hydrophilic surface: 71.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs01247519
ENAMINE-ZINC02009867