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ENAMINE-ZINC05630596

 MMsINC code: MMs01628700
Type: Neutral
Formula: C23H21FN2O2
SMILES:   Fc1ccccc1CNC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H21FN2O2/c24-20-14-8-7-13-19(20)16-25-22(27)15-21(17-9-3-1-4-10-17)26-23(28)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,25,27)(H,26,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.2294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.431 g/mol  logS: -5.41628  SlogP: 4.3652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855738  Sterimol/B1: 2.42727  Sterimol/B2: 3.27164  Sterimol/B3: 4.55927
  Sterimol/B4: 11.2081  Sterimol/L: 16.8121 
 
 Surface and Volume Properties
  Accessible surface: 680.093  Positive charged surface: 371.42  Negative charged surface: 308.673  Volume: 368.375
  Hydrophobic surface: 612.597  Hydrophilic surface: 67.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.