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PUBCHEM-ZINC01215507

 MMsINC code: MMs02789203
Type: Neutral
Formula: C20H22N2O4
SMILES:   OC(=O)c1ccccc1NC(=O)c1cc(C)c(NC(=O)C(C)(C)C)cc1
InChI:   InChI=1/C20H22N2O4/c1-12-11-13(9-10-15(12)22-19(26)20(2,3)4)17(23)21-16-8-6-5-7-14(16)18(24)25/h5-11H,1-4H3,(H,21,23)(H,22,26)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.406 g/mol  logS: -4.2995  SlogP: 3.93012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288612  Sterimol/B1: 2.10831  Sterimol/B2: 2.83132  Sterimol/B3: 4.32571
  Sterimol/B4: 8.6039  Sterimol/L: 18.4241 
 
 Surface and Volume Properties
  Accessible surface: 621.847  Positive charged surface: 374.479  Negative charged surface: 247.368  Volume: 342.75
  Hydrophobic surface: 434.679  Hydrophilic surface: 187.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02789204
PUBCHEM-ZINC01215507