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ENAMINE-ZINC03514676

 MMsINC code: MMs01485333
Type: Neutral
Formula: C18H26N2O4
SMILES:   O(C(=O)c1ccc(cc1)C(C)(C)C)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C18H26N2O4/c1-17(2,3)13-9-7-12(8-10-13)15(22)24-11-14(21)19-16(23)20-18(4,5)6/h7-10H,11H2,1-6H3,(H2,19,20,21,23)

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Potential Energy
Epot(MMFF94)=74.0727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.416 g/mol  logS: -5.16892  SlogP: 2.7652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252361  Sterimol/B1: 2.37509  Sterimol/B2: 3.93161  Sterimol/B3: 4.87438
  Sterimol/B4: 4.93975  Sterimol/L: 20.234 
 
 Surface and Volume Properties
  Accessible surface: 638.621  Positive charged surface: 418.62  Negative charged surface: 220.001  Volume: 334.625
  Hydrophobic surface: 404.838  Hydrophilic surface: 233.783
 
 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.