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PUBCHEM-ZINC05522435

 MMsINC code: MMs03296458
Type: Neutral
Formula: C17H32N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC1CCCCC1
InChI:   InChI=1/C17H32N2O3/c1-12(2)11-14(19-16(21)22-17(3,4)5)15(20)18-13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3,(H,18,20)(H,19,21)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=41.1589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.454 g/mol  logS: -4.02469  SlogP: 3.3747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0678615  Sterimol/B1: 1.97884  Sterimol/B2: 3.40857  Sterimol/B3: 4.88721
  Sterimol/B4: 7.86359  Sterimol/L: 16.7392 
 
 Surface and Volume Properties
  Accessible surface: 613.44  Positive charged surface: 449.829  Negative charged surface: 163.611  Volume: 330.875
  Hydrophobic surface: 463.081  Hydrophilic surface: 150.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.