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PUBCHEM-ZINC00052299

 MMsINC code: MMs02630414
Type: Neutral
Formula: C17H30N2O4
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)C(=O)NC1CCCCCC1
InChI:   InChI=1/C17H30N2O4/c1-17(2,3)23-16(22)19-11-13(20)10-14(19)15(21)18-12-8-6-4-5-7-9-12/h12-14,20H,4-11H2,1-3H3,(H,18,21)/t13-,14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.0913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.437 g/mol  logS: -3.02257  SlogP: 2.1957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958158  Sterimol/B1: 2.47635  Sterimol/B2: 3.39312  Sterimol/B3: 4.39932
  Sterimol/B4: 9.06234  Sterimol/L: 16.0155 
 
 Surface and Volume Properties
  Accessible surface: 607.616  Positive charged surface: 458.229  Negative charged surface: 149.386  Volume: 328
  Hydrophobic surface: 463.203  Hydrophilic surface: 144.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.