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ENAMINE-ZINC05442951

 MMsINC code: MMs01612835
Type: Neutral
Formula: C19H18F3NO
SMILES:   FC(F)(F)c1cc(ccc1)CC(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C19H18F3NO/c20-19(21,22)15-8-3-5-13(11-15)12-18(24)23-17-10-4-7-14-6-1-2-9-16(14)17/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,23,24)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.1845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.353 g/mol  logS: -5.31779  SlogP: 4.84864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601555  Sterimol/B1: 2.46722  Sterimol/B2: 3.18743  Sterimol/B3: 4.15087
  Sterimol/B4: 7.41826  Sterimol/L: 15.4904 
 
 Surface and Volume Properties
  Accessible surface: 559.794  Positive charged surface: 295.501  Negative charged surface: 264.292  Volume: 302.625
  Hydrophobic surface: 424.712  Hydrophilic surface: 135.082
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.