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CHEMBLOCK-ZINC04744039

 MMsINC code: MMs00575795
Type: Neutral
Formula: C21H21F3N2O2
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1C
InChI:   InChI=1/C21H21F3N2O2/c1-14-6-4-5-13-26(14)20(28)17-7-2-3-8-18(17)25-19(27)15-9-11-16(12-10-15)21(22,23)24/h2-3,7-12,14H,4-6,13H2,1H3,(H,25,27)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.405 g/mol  logS: -5.53292  SlogP: 5.2838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780855  Sterimol/B1: 2.44935  Sterimol/B2: 2.99863  Sterimol/B3: 5.35598
  Sterimol/B4: 9.15149  Sterimol/L: 15.3781 
 
 Surface and Volume Properties
  Accessible surface: 607.557  Positive charged surface: 324.251  Negative charged surface: 283.306  Volume: 347.5
  Hydrophobic surface: 438.711  Hydrophilic surface: 168.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.