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NCID-ZINC01615968

 MMsINC code: MMs02265578
Type: Neutral
Formula: C22H20N2O3
SMILES:   OC(=O)NC(C(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C22H20N2O3/c25-21(18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)20(24-22(26)27)17-12-6-2-7-13-17/h1-15,19-20,24H,(H,23,25)(H,26,27)/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.413 g/mol  logS: -4.90387  SlogP: 4.3576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1466  Sterimol/B1: 2.47645  Sterimol/B2: 3.22048  Sterimol/B3: 4.87754
  Sterimol/B4: 10.5646  Sterimol/L: 16.4433 
 
 Surface and Volume Properties
  Accessible surface: 618.467  Positive charged surface: 344.233  Negative charged surface: 274.234  Volume: 353
  Hydrophobic surface: 487.306  Hydrophilic surface: 131.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.