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ENAMINE-ZINC05254469

 MMsINC code: MMs01601888
Type: Neutral
Formula: C16H22N2O5
SMILES:   O(C(=O)c1ccc(cc1)COC)CC(=O)NC(=O)NCC(C)C
InChI:   InChI=1/C16H22N2O5/c1-11(2)8-17-16(21)18-14(19)10-23-15(20)13-6-4-12(5-7-13)9-22-3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,21)

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Potential Energy
Epot(MMFF94)=44.5587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.361 g/mol  logS: -3.01466  SlogP: 1.738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147936  Sterimol/B1: 2.46328  Sterimol/B2: 2.62877  Sterimol/B3: 3.84032
  Sterimol/B4: 5.82783  Sterimol/L: 22.2501 
 
 Surface and Volume Properties
  Accessible surface: 635.436  Positive charged surface: 447.456  Negative charged surface: 187.98  Volume: 311.375
  Hydrophobic surface: 438.532  Hydrophilic surface: 196.904
 
 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.