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ENAMINE-ZINC03388146

 MMsINC code: MMs01411994
Type: Neutral
Formula: C16H20N2O4
SMILES:   O(C(=O)c1ccc(cc1)C)CC(=O)NC(=O)NC1CCCC1
InChI:   InChI=1/C16H20N2O4/c1-11-6-8-12(9-7-11)15(20)22-10-14(19)18-16(21)17-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H2,17,18,19,21)

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Potential Energy
Epot(MMFF94)=41.9312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.346 g/mol  logS: -3.59755  SlogP: 1.92022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016645  Sterimol/B1: 2.57662  Sterimol/B2: 3.33679  Sterimol/B3: 3.37197
  Sterimol/B4: 5.60814  Sterimol/L: 20.3112 
 
 Surface and Volume Properties
  Accessible surface: 593.071  Positive charged surface: 391.265  Negative charged surface: 201.807  Volume: 292.625
  Hydrophobic surface: 454.336  Hydrophilic surface: 138.735
 
 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.