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ENAMINE-ZINC03321164

 MMsINC code: MMs01370270
Type: Neutral
Formula: C22H24F2N2O2
SMILES:   Fc1cccc(F)c1C(=O)NC(C(C)C)C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C22H24F2N2O2/c1-13(2)20(26-21(27)19-16(23)10-6-11-17(19)24)22(28)25-18-12-5-8-14-7-3-4-9-15(14)18/h3-4,6-7,9-11,13,18,20H,5,8,12H2,1-2H3,(H,25,28)(H,26,27)/t18-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.1538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.442 g/mol  logS: -5.69305  SlogP: 4.00847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569422  Sterimol/B1: 2.31729  Sterimol/B2: 2.54884  Sterimol/B3: 4.8542
  Sterimol/B4: 8.84317  Sterimol/L: 16.5759 
 
 Surface and Volume Properties
  Accessible surface: 626.032  Positive charged surface: 367.024  Negative charged surface: 259.008  Volume: 364.125
  Hydrophobic surface: 538.234  Hydrophilic surface: 87.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.