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ENAMINE-ZINC03423828

 MMsINC code: MMs01433387
Type: Neutral
Formula: C16H22N2O4
SMILES:   O(C(=O)c1ccc(cc1C)C)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C16H22N2O4/c1-10-6-7-12(11(2)8-10)14(20)22-9-13(19)17-15(21)18-16(3,4)5/h6-8H,9H2,1-5H3,(H2,17,18,19,21)

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Potential Energy
Epot(MMFF94)=64.6259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.362 g/mol  logS: -4.09718  SlogP: 2.08454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210908  Sterimol/B1: 2.44739  Sterimol/B2: 3.60699  Sterimol/B3: 3.63361
  Sterimol/B4: 6.36316  Sterimol/L: 19.1573 
 
 Surface and Volume Properties
  Accessible surface: 590.416  Positive charged surface: 391.741  Negative charged surface: 198.675  Volume: 300.75
  Hydrophobic surface: 421.188  Hydrophilic surface: 169.228
 
 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.