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PUBCHEM-ZINC05513583

 MMsINC code: MMs03293393
Type: Neutral
Formula: C22H20N2O3
SMILES:   O(C)c1ccc(cc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C22H20N2O3/c1-27-19-14-12-18(13-15-19)21(25)23-24-22(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=131.562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.413 g/mol  logS: -5.33771  SlogP: 3.2883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727637  Sterimol/B1: 3.88705  Sterimol/B2: 4.12427  Sterimol/B3: 4.61929
  Sterimol/B4: 7.25958  Sterimol/L: 17.6443 
 
 Surface and Volume Properties
  Accessible surface: 650.822  Positive charged surface: 379.275  Negative charged surface: 271.546  Volume: 351.25
  Hydrophobic surface: 560.229  Hydrophilic surface: 90.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.