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CHEMBLOCK-ZINC04594519

 MMsINC code: MMs00560637
Type: Ionized
Formula: C11H10F3O5-
SMILES:   FC(F)(F)C(O)(C(=O)[O-])c1cc(OC)c(OC)cc1
InChI:   InChI=1/C11H11F3O5/c1-18-7-4-3-6(5-8(7)19-2)10(17,9(15)16)11(12,13)14/h3-5,17H,1-2H3,(H,15,16)/p-1/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.6987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.19 g/mol  logS: -2.59594  SlogP: 0.935  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103955  Sterimol/B1: 2.34793  Sterimol/B2: 3.74138  Sterimol/B3: 3.82858
  Sterimol/B4: 7.13756  Sterimol/L: 12.4447 
 
 Surface and Volume Properties
  Accessible surface: 437.724  Positive charged surface: 242.316  Negative charged surface: 195.408  Volume: 216
  Hydrophobic surface: 243.683  Hydrophilic surface: 194.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00560636
CHEMBLOCK-ZINC04594519