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ASINEX-ZINC02534246

 MMsINC code: MMs00274419
Type: Neutral
Formula: C10H10F2O4
SMILES:   FC(F)Oc1ccc(cc1OCC)C(O)=O
InChI:   InChI=1/C10H10F2O4/c1-2-15-8-5-6(9(13)14)3-4-7(8)16-10(11)12/h3-5,10H,2H2,1H3,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.182 g/mol  logS: -1.86612  SlogP: 2.8048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03549  Sterimol/B1: 2.63426  Sterimol/B2: 2.64191  Sterimol/B3: 5.18288
  Sterimol/B4: 6.26201  Sterimol/L: 11.256 
 
 Surface and Volume Properties
  Accessible surface: 417.883  Positive charged surface: 240.86  Negative charged surface: 177.023  Volume: 192.375
  Hydrophobic surface: 206.868  Hydrophilic surface: 211.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00274420
ASINEX-ZINC02534246