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ENAMINE-ZINC03412534

 MMsINC code: MMs01426714
Type: Neutral
Formula: C19H17F3N2O2
SMILES:   FC(F)(F)c1cc(ccc1)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChI:   InChI=1/C19H17F3N2O2/c20-19(21,22)15-4-1-3-13(11-15)12-23-18(26)14-6-8-16(9-7-14)24-10-2-5-17(24)25/h1,3-4,6-9,11H,2,5,10,12H2,(H,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.1494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.351 g/mol  logS: -4.68409  SlogP: 4.3401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534387  Sterimol/B1: 2.5016  Sterimol/B2: 3.99697  Sterimol/B3: 5.32095
  Sterimol/B4: 6.12427  Sterimol/L: 18.2454 
 
 Surface and Volume Properties
  Accessible surface: 604.321  Positive charged surface: 307.733  Negative charged surface: 296.587  Volume: 316.875
  Hydrophobic surface: 418.185  Hydrophilic surface: 186.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.