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ALFAAESAR-ZINC02556412

 MMsINC code: MMs00023603
Type: Neutral
Formula: C9H5Cl2F3O2
SMILES:   Clc1cc(cc(Cl)c1CC(O)=O)C(F)(F)F
InChI:   InChI=1/C9H5Cl2F3O2/c10-6-1-4(9(12,13)14)2-7(11)5(6)3-8(15)16/h1-2H,3H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.037 g/mol  logS: -3.94088  SlogP: 3.95077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903478  Sterimol/B1: 2.71177  Sterimol/B2: 3.44269  Sterimol/B3: 3.54816
  Sterimol/B4: 5.94266  Sterimol/L: 11.6331 
 
 Surface and Volume Properties
  Accessible surface: 397.648  Positive charged surface: 106.682  Negative charged surface: 290.966  Volume: 189.75
  Hydrophobic surface: 208.528  Hydrophilic surface: 189.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00023604
ALFAAESAR-ZINC02556412