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PUBCHEM-ZINC06364584

 MMsINC code: MMs03688679
Type: Neutral
Formula: C17H30N2O5
SMILES:   O1CCN(CC1)C(=O)CC(CC(=O)NC(CC(C)C)C(OC)=O)C
InChI:   InChI=1/C17H30N2O5/c1-12(2)9-14(17(22)23-4)18-15(20)10-13(3)11-16(21)19-5-7-24-8-6-19/h12-14H,5-11H2,1-4H3,(H,18,20)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=79.6814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.436 g/mol  logS: -2.56959  SlogP: 0.9654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0413843  Sterimol/B1: 2.27982  Sterimol/B2: 2.42703  Sterimol/B3: 4.6705
  Sterimol/B4: 7.07835  Sterimol/L: 18.6968 
 
 Surface and Volume Properties
  Accessible surface: 638.574  Positive charged surface: 509.138  Negative charged surface: 129.436  Volume: 341.875
  Hydrophobic surface: 484.23  Hydrophilic surface: 154.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.