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PUBCHEM-ZINC06357637

 MMsINC code: MMs03683984
Type: Neutral
Formula: C16H28N2O4
SMILES:   OCC1N(CCC1)C(=O)CC(CC=C)C(=O)NC(CO)(C)C
InChI:   InChI=1/C16H28N2O4/c1-4-6-12(15(22)17-16(2,3)11-20)9-14(21)18-8-5-7-13(18)10-19/h4,12-13,19-20H,1,5-11H2,2-3H3,(H,17,22)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=65.9358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.41 g/mol  logS: -1.27486  SlogP: 0.4392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0693061  Sterimol/B1: 2.28557  Sterimol/B2: 3.11917  Sterimol/B3: 4.70134
  Sterimol/B4: 8.15363  Sterimol/L: 15.3001 
 
 Surface and Volume Properties
  Accessible surface: 586.118  Positive charged surface: 441.066  Negative charged surface: 145.052  Volume: 317.125
  Hydrophobic surface: 383.385  Hydrophilic surface: 202.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.