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NCID-ZINC04726398

 MMsINC code: MMs02398385
Type: Neutral
Formula: C21H24N2O4
SMILES:   O1CCOC1(CC(=O)NCc1ccccc1)CC(=O)NCc1ccccc1
InChI:   InChI=1/C21H24N2O4/c24-19(22-15-17-7-3-1-4-8-17)13-21(26-11-12-27-21)14-20(25)23-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=58.9711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.433 g/mol  logS: -3.7254  SlogP: 2.6753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492937  Sterimol/B1: 3.08438  Sterimol/B2: 3.32028  Sterimol/B3: 4.10852
  Sterimol/B4: 8.6346  Sterimol/L: 19.1772 
 
 Surface and Volume Properties
  Accessible surface: 682.925  Positive charged surface: 461.469  Negative charged surface: 221.456  Volume: 362.875
  Hydrophobic surface: 590.62  Hydrophilic surface: 92.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.