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NCID-ZINC01728536

 MMsINC code: MMs02351867
Type: Neutral
Formula: C18H9F6NO2
SMILES:   FC(F)(F)c1cc(ccc1)-c1nc2c(cccc2C(F)(F)F)c(c1)C(O)=O
InChI:   InChI=1/C18H9F6NO2/c19-17(20,21)10-4-1-3-9(7-10)14-8-12(16(26)27)11-5-2-6-13(15(11)25-14)18(22,23)24/h1-8H,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.5306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.263 g/mol  logS: -6.4511  SlogP: 6.2606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139783  Sterimol/B1: 2.60854  Sterimol/B2: 3.06298  Sterimol/B3: 4.21906
  Sterimol/B4: 7.90781  Sterimol/L: 14.3734 
 
 Surface and Volume Properties
  Accessible surface: 530.807  Positive charged surface: 175.038  Negative charged surface: 345.24  Volume: 289
  Hydrophobic surface: 238.676  Hydrophilic surface: 292.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02351868
NCID-ZINC01728536