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ENAMINE-ZINC03608336

 MMsINC code: MMs01523220
Type: Neutral
Formula: C17H16F3NO2
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)NCCc1ccc(OC)cc1
InChI:   InChI=1/C17H16F3NO2/c1-23-15-7-5-12(6-8-15)9-10-21-16(22)13-3-2-4-14(11-13)17(18,19)20/h2-8,11H,9-10H2,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.9985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.314 g/mol  logS: -4.46731  SlogP: 3.99797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385497  Sterimol/B1: 2.85601  Sterimol/B2: 3.08359  Sterimol/B3: 4.56033
  Sterimol/B4: 5.17647  Sterimol/L: 19.4493 
 
 Surface and Volume Properties
  Accessible surface: 573.751  Positive charged surface: 304.872  Negative charged surface: 268.879  Volume: 285.625
  Hydrophobic surface: 414.958  Hydrophilic surface: 158.793
 
 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.