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ACROSORGANICS-ZINC00128838

 MMsINC code: MMs00004348
Type: Ionized
Formula: C10H8FO3-
SMILES:   Fc1ccc(cc1)C(=O)CCC(=O)[O-]
InChI:   InChI=1/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.2368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.169 g/mol  logS: -2.0049  SlogP: 0.5385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172186  Sterimol/B1: 2.37819  Sterimol/B2: 2.37914  Sterimol/B3: 2.55002
  Sterimol/B4: 5.26467  Sterimol/L: 13.4493 
 
 Surface and Volume Properties
  Accessible surface: 376.247  Positive charged surface: 177.474  Negative charged surface: 198.772  Volume: 170.25
  Hydrophobic surface: 247.646  Hydrophilic surface: 128.601
 
 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:


MMs00004347
ACROSORGANICS-ZINC00128838