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ENAMINE-ZINC03231725

 MMsINC code: MMs01319508
Type: Neutral
Formula: C17H15F2NO3
SMILES:   Fc1cc(F)ccc1C(OCC(=O)Nc1cc(C)c(cc1)C)=O
InChI:   InChI=1/C17H15F2NO3/c1-10-3-5-13(7-11(10)2)20-16(21)9-23-17(22)14-6-4-12(18)8-15(14)19/h3-8H,9H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.2622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.307 g/mol  logS: -5.30084  SlogP: 3.37714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0170434  Sterimol/B1: 2.70531  Sterimol/B2: 2.71555  Sterimol/B3: 3.22204
  Sterimol/B4: 5.70501  Sterimol/L: 17.7969 
 
 Surface and Volume Properties
  Accessible surface: 566.085  Positive charged surface: 309.945  Negative charged surface: 256.14  Volume: 286.875
  Hydrophobic surface: 483.636  Hydrophilic surface: 82.449
 
 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.