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CHEMBLOCK-ZINC00062766

 MMsINC code: MMs00492671
Type: Neutral
Formula: C11H10F2O4
SMILES:   FC(F)C1(Oc2c(ccc(OC)c2)C(=O)C1)O
InChI:   InChI=1/C11H10F2O4/c1-16-6-2-3-7-8(14)5-11(15,10(12)13)17-9(7)4-6/h2-4,10,15H,5H2,1H3/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.0233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.193 g/mol  logS: -2.20284  SlogP: 2.034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533627  Sterimol/B1: 2.98088  Sterimol/B2: 3.24916  Sterimol/B3: 3.3683
  Sterimol/B4: 5.32432  Sterimol/L: 13.3183 
 
 Surface and Volume Properties
  Accessible surface: 412.184  Positive charged surface: 235.474  Negative charged surface: 176.71  Volume: 197.75
  Hydrophobic surface: 251.216  Hydrophilic surface: 160.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.