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PUBCHEM-ZINC04893342

 MMsINC code: MMs03182152
Type: Neutral
Formula: C17H32N2O3
SMILES:   O(CC(C)C)C(=O)NC(C(C)C)C(=O)NC1CCCCCC1
InChI:   InChI=1/C17H32N2O3/c1-12(2)11-22-17(21)19-15(13(3)4)16(20)18-14-9-7-5-6-8-10-14/h12-15H,5-11H2,1-4H3,(H,18,20)(H,19,21)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=41.0897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.454 g/mol  logS: -3.46036  SlogP: 3.2322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695528  Sterimol/B1: 2.38685  Sterimol/B2: 3.71478  Sterimol/B3: 5.13827
  Sterimol/B4: 5.47794  Sterimol/L: 18.6495 
 
 Surface and Volume Properties
  Accessible surface: 612.646  Positive charged surface: 458.017  Negative charged surface: 154.629  Volume: 330.25
  Hydrophobic surface: 464.352  Hydrophilic surface: 148.294
 
 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.