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ENAMINE-ZINC03232796

 MMsINC code: MMs01319997
Type: Neutral
Formula: C16H16N2O4
SMILES:   O=C1NC=CC=C1C(OCC(=O)NC(C)c1ccccc1)=O
InChI:   InChI=1/C16H16N2O4/c1-11(12-6-3-2-4-7-12)18-14(19)10-22-16(21)13-8-5-9-17-15(13)20/h2-9,11H,10H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=59.7698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.314 g/mol  logS: -3.37578  SlogP: 1.0724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392306  Sterimol/B1: 2.20412  Sterimol/B2: 2.2473  Sterimol/B3: 5.237
  Sterimol/B4: 5.54596  Sterimol/L: 18.2151 
 
 Surface and Volume Properties
  Accessible surface: 561.113  Positive charged surface: 326.983  Negative charged surface: 234.13  Volume: 280.125
  Hydrophobic surface: 397.872  Hydrophilic surface: 163.241
 
 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.