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PUBCHEM-ZINC06824270

 MMsINC code: MMs03868728
Type: Neutral
Formula: C19H21FN2O3
SMILES:   Fc1ccc(cc1)CNC(=O)C(NC(=O)C(C)c1ccccc1)CO
InChI:   InChI=1/C19H21FN2O3/c1-13(15-5-3-2-4-6-15)18(24)22-17(12-23)19(25)21-11-14-7-9-16(20)10-8-14/h2-10,13,17,23H,11-12H2,1H3,(H,21,25)(H,22,24)/t13-,17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.2302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.386 g/mol  logS: -3.82716  SlogP: 1.9891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668939  Sterimol/B1: 2.7046  Sterimol/B2: 2.70905  Sterimol/B3: 5.27867
  Sterimol/B4: 6.20276  Sterimol/L: 19.1191 
 
 Surface and Volume Properties
  Accessible surface: 625.156  Positive charged surface: 374.623  Negative charged surface: 250.533  Volume: 331.875
  Hydrophobic surface: 490.444  Hydrophilic surface: 134.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.