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ENAMINE-ZINC03294234

 MMsINC code: MMs01354974
Type: Neutral
Formula: C15H18N2O5
SMILES:   O(C(=O)c1ccc(cc1)C=O)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C15H18N2O5/c1-15(2,3)17-14(21)16-12(19)9-22-13(20)11-6-4-10(8-18)5-7-11/h4-8H,9H2,1-3H3,(H2,16,17,19,21)

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Potential Energy
Epot(MMFF94)=57.4605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.318 g/mol  logS: -3.15545  SlogP: 1.2802  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0208324  Sterimol/B1: 2.37496  Sterimol/B2: 3.29542  Sterimol/B3: 4.87427
  Sterimol/B4: 5.42752  Sterimol/L: 19.3262 
 
 Surface and Volume Properties
  Accessible surface: 569.233  Positive charged surface: 354.009  Negative charged surface: 215.223  Volume: 285.25
  Hydrophobic surface: 329.121  Hydrophilic surface: 240.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.