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ENAMINE-ZINC06933391

 MMsINC code: MMs01712870
Type: Neutral
Formula: C19H17N3O4
SMILES:   o1c(nnc1COC(=O)CNC(=O)c1cc(ccc1)C)-c1ccccc1
InChI:   InChI=1/C19H17N3O4/c1-13-6-5-9-15(10-13)18(24)20-11-17(23)25-12-16-21-22-19(26-16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=81.8184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.362 g/mol  logS: -5.97985  SlogP: 2.78462  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0262398  Sterimol/B1: 2.52709  Sterimol/B2: 3.1008  Sterimol/B3: 4.23617
  Sterimol/B4: 5.67017  Sterimol/L: 22.1777 
 
 Surface and Volume Properties
  Accessible surface: 652.648  Positive charged surface: 362.237  Negative charged surface: 290.411  Volume: 328.375
  Hydrophobic surface: 481.486  Hydrophilic surface: 171.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.