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CHEMBRIDGE-ZINC02333976

 MMsINC code: MMs00707493
Type: Neutral
Formula: C15H7F5O2
SMILES:   Fc1c(/C(=C/c2ccccc2)/C(O)=O)c(F)c(F)c(F)c1F
InChI:   InChI=1/C15H7F5O2/c16-10-9(11(17)13(19)14(20)12(10)18)8(15(21)22)6-7-4-2-1-3-5-7/h1-6H,(H,21,22)/b8-6-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.209 g/mol  logS: -5.11249  SlogP: 4.0073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102737  Sterimol/B1: 3.31783  Sterimol/B2: 3.74094  Sterimol/B3: 4.05241
  Sterimol/B4: 4.08531  Sterimol/L: 14.5944 
 
 Surface and Volume Properties
  Accessible surface: 473.247  Positive charged surface: 208.376  Negative charged surface: 264.871  Volume: 240.125
  Hydrophobic surface: 405.64  Hydrophilic surface: 67.607
 
 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


MMs00707494
CHEMBRIDGE-ZINC02333976