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ENAMINE-ZINC05049469

 MMsINC code: MMs01578921
Type: Neutral
Formula: C19H20N2O4
SMILES:   O(C(=O)c1c(cc(cc1C)C)C)CC(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C19H20N2O4/c1-12-9-13(2)17(14(3)10-12)19(24)25-11-16(22)20-21-18(23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=103.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -5.41333  SlogP: 2.22986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063744  Sterimol/B1: 2.97116  Sterimol/B2: 4.75322  Sterimol/B3: 4.76215
  Sterimol/B4: 5.99562  Sterimol/L: 20.2116 
 
 Surface and Volume Properties
  Accessible surface: 635.142  Positive charged surface: 352.042  Negative charged surface: 283.1  Volume: 329.5
  Hydrophobic surface: 503.081  Hydrophilic surface: 132.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.