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ACROSORGANICS-ZINC00119824

 MMsINC code: MMs00004183
Type: Ionized
Formula: C9H6F3O2-
SMILES:   FC(F)(F)c1cc(ccc1)CC(=O)[O-]
InChI:   InChI=1/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.139 g/mol  logS: -2.73275  SlogP: 1.30927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938418  Sterimol/B1: 2.55545  Sterimol/B2: 2.79592  Sterimol/B3: 3.02744
  Sterimol/B4: 5.88566  Sterimol/L: 10.7942 
 
 Surface and Volume Properties
  Accessible surface: 355.047  Positive charged surface: 119.454  Negative charged surface: 235.593  Volume: 159
  Hydrophobic surface: 168.752  Hydrophilic surface: 186.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs00004182
ACROSORGANICS-ZINC00119824