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PUBCHEM-ZINC00427820

 MMsINC code: MMs02682432
Type: Neutral
Formula: C18H15F3N2O
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)NCCn1c2c(cccc2)cc1
InChI:   InChI=1/C18H15F3N2O/c19-18(20,21)15-6-3-5-14(12-15)17(24)22-9-11-23-10-8-13-4-1-2-7-16(13)23/h1-8,10,12H,9,11H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.325 g/mol  logS: -4.56581  SlogP: 4.668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0630878  Sterimol/B1: 2.75547  Sterimol/B2: 3.82928  Sterimol/B3: 4.05894
  Sterimol/B4: 6.25587  Sterimol/L: 17.8016 
 
 Surface and Volume Properties
  Accessible surface: 569.681  Positive charged surface: 260.662  Negative charged surface: 303.176  Volume: 297.75
  Hydrophobic surface: 405.302  Hydrophilic surface: 164.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.