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ENAMINE-ZINC03418708

 MMsINC code: MMs01430575
Type: Neutral
Formula: C15H20N2O5
SMILES:   O(C(=O)c1ccc(cc1)CO)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C15H20N2O5/c1-15(2,3)17-14(21)16-12(19)9-22-13(20)11-6-4-10(8-18)5-7-11/h4-7,18H,8-9H2,1-3H3,(H2,16,17,19,21)

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Potential Energy
Epot(MMFF94)=53.8079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.334 g/mol  logS: -2.92036  SlogP: 1.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214992  Sterimol/B1: 2.40799  Sterimol/B2: 2.50266  Sterimol/B3: 4.83465
  Sterimol/B4: 5.72709  Sterimol/L: 19.5675 
 
 Surface and Volume Properties
  Accessible surface: 583.387  Positive charged surface: 378.787  Negative charged surface: 204.6  Volume: 289.5
  Hydrophobic surface: 343.034  Hydrophilic surface: 240.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.