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ASINEX-ZINC00035129

 MMsINC code: MMs00061264
Type: Neutral
Formula: C19H18N2O4
SMILES:   OC1(c2c(N(C)C1=O)cccc2)CC(=O)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C19H18N2O4/c1-12(22)20-14-9-7-13(8-10-14)17(23)11-19(25)15-5-3-4-6-16(15)21(2)18(19)24/h3-10,25H,11H2,1-2H3,(H,20,22)/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=98.7206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.363 g/mol  logS: -3.59146  SlogP: 2.3935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071683  Sterimol/B1: 3.22011  Sterimol/B2: 4.0209  Sterimol/B3: 5.06437
  Sterimol/B4: 5.64767  Sterimol/L: 17.2478 
 
 Surface and Volume Properties
  Accessible surface: 581.495  Positive charged surface: 357.717  Negative charged surface: 223.778  Volume: 317.5
  Hydrophobic surface: 454.271  Hydrophilic surface: 127.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.