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PUBCHEM-ZINC00512627

 MMsINC code: MMs02696536
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)c1ccccc1C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H20N2O4/c1-19(2,3)13-10-8-12(9-11-13)16(22)20-21-17(23)14-6-4-5-7-15(14)18(24)25/h4-11H,1-3H3,(H,20,22)(H,21,23)(H,24,25)

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Potential Energy
Epot(MMFF94)=110.277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -5.57238  SlogP: 2.7571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0333419  Sterimol/B1: 2.62894  Sterimol/B2: 3.31002  Sterimol/B3: 4.15686
  Sterimol/B4: 6.15414  Sterimol/L: 18.7297 
 
 Surface and Volume Properties
  Accessible surface: 603.413  Positive charged surface: 347.521  Negative charged surface: 255.893  Volume: 326.5
  Hydrophobic surface: 383.119  Hydrophilic surface: 220.294
 
 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


MMs02696537
PUBCHEM-ZINC00512627