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CHEMDIV-ZINC00201061

 MMsINC code: MMs00838424
Type: Neutral
Formula: C14H8F4O2
SMILES:   Fc1c(-c2ccc(cc2)C)c(C(O)=O)c(F)c(F)c1F
InChI:   InChI=1/C14H8F4O2/c1-6-2-4-7(5-3-6)8-9(14(19)20)11(16)13(18)12(17)10(8)15/h2-5H,1H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.7243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.208 g/mol  logS: -5.4345  SlogP: 3.91662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100014  Sterimol/B1: 3.28599  Sterimol/B2: 3.33321  Sterimol/B3: 4.21196
  Sterimol/B4: 4.85421  Sterimol/L: 13.3484 
 
 Surface and Volume Properties
  Accessible surface: 453.485  Positive charged surface: 205.399  Negative charged surface: 246.837  Volume: 224.75
  Hydrophobic surface: 373.316  Hydrophilic surface: 80.169
 
 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


MMs00838425
CHEMDIV-ZINC00201061