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PUBCHEM-ZINC06615805

 MMsINC code: MMs03821044
Type: Neutral
Formula: C19H19F3N2O2
SMILES:   FC(F)(F)c1ccccc1C(N1CCCCC1C(O)=O)c1ncccc1
InChI:   InChI=1/C19H19F3N2O2/c20-19(21,22)14-8-2-1-7-13(14)17(15-9-3-5-11-23-15)24-12-6-4-10-16(24)18(25)26/h1-3,5,7-9,11,16-17H,4,6,10,12H2,(H,25,26)/t16-,17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.367 g/mol  logS: -3.72555  SlogP: 4.5359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.462245  Sterimol/B1: 3.3171  Sterimol/B2: 5.18957  Sterimol/B3: 5.6353
  Sterimol/B4: 6.22715  Sterimol/L: 12.0666 
 
 Surface and Volume Properties
  Accessible surface: 527.417  Positive charged surface: 311.241  Negative charged surface: 216.176  Volume: 316
  Hydrophobic surface: 394.227  Hydrophilic surface: 133.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.