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PUBCHEM-ZINC06344237

 MMsINC code: MMs03677841
Type: Neutral
Formula: C24H22N2O4
SMILES:   OCC(NC(=O)c1cc(ccc1)C(=O)c1ccccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H22N2O4/c27-16-21(24(30)25-15-17-8-3-1-4-9-17)26-23(29)20-13-7-12-19(14-20)22(28)18-10-5-2-6-11-18/h1-14,21,27H,15-16H2,(H,25,30)(H,26,29)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.45 g/mol  logS: -5.34175  SlogP: 2.5911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476653  Sterimol/B1: 3.66325  Sterimol/B2: 4.21197  Sterimol/B3: 5.09281
  Sterimol/B4: 7.6041  Sterimol/L: 20.2996 
 
 Surface and Volume Properties
  Accessible surface: 711.459  Positive charged surface: 407.67  Negative charged surface: 303.789  Volume: 386.625
  Hydrophobic surface: 557.67  Hydrophilic surface: 153.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.