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PUBCHEM-ZINC04699287

 MMsINC code: MMs03159321
Type: Neutral
Formula: C17H30N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCC(CC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C17H30N2O3/c1-17(2,3)22-16(21)19-11-9-13(10-12-19)15(20)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=22.1976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.438 g/mol  logS: -2.66814  SlogP: 3.0824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459712  Sterimol/B1: 1.969  Sterimol/B2: 3.78317  Sterimol/B3: 4.96691
  Sterimol/B4: 5.4643  Sterimol/L: 18.3346 
 
 Surface and Volume Properties
  Accessible surface: 598.933  Positive charged surface: 468.984  Negative charged surface: 129.949  Volume: 322.375
  Hydrophobic surface: 497.167  Hydrophilic surface: 101.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.