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ENAMINE-ZINC05128756

 MMsINC code: MMs01591402
Type: Neutral
Formula: C15H20N2O5
SMILES:   O(C(=O)c1ccccc1)CC(=O)NC(=O)NCCCOCC
InChI:   InChI=1/C15H20N2O5/c1-2-21-10-6-9-16-15(20)17-13(18)11-22-14(19)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=33.8139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.334 g/mol  logS: -2.83933  SlogP: 1.0958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00599575  Sterimol/B1: 2.37519  Sterimol/B2: 2.37626  Sterimol/B3: 3.59266
  Sterimol/B4: 4.75457  Sterimol/L: 22.9122 
 
 Surface and Volume Properties
  Accessible surface: 618.027  Positive charged surface: 420.658  Negative charged surface: 197.37  Volume: 295.875
  Hydrophobic surface: 441.883  Hydrophilic surface: 176.144
 
 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.