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ENAMINE-ZINC03443246

 MMsINC code: MMs01445563
Type: Neutral
Formula: C16H22N2O4
SMILES:   O(C(=O)c1cc(C)c(cc1)C)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C16H22N2O4/c1-10-6-7-12(8-11(10)2)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)=61.0209 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: 0.0191129  Sterimol/B1: 2.48231  Sterimol/B2: 3.62016  Sterimol/B3: 3.62749
  Sterimol/B4: 5.88573  Sterimol/L: 19.1709 
 
 Surface and Volume Properties
  Accessible surface: 594.044  Positive charged surface: 379.845  Negative charged surface: 214.199  Volume: 302.625
  Hydrophobic surface: 414.62  Hydrophilic surface: 179.424
 
 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.