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PUBCHEM-ZINC02772798

 MMsINC code: MMs02921770
Type: Neutral
Formula: C15H30N2O2
SMILES:   O=C(NC(CNC(=O)CC(C)(C)C)C)CC(C)(C)C
InChI:   InChI=1/C15H30N2O2/c1-11(17-13(19)9-15(5,6)7)10-16-12(18)8-14(2,3)4/h11H,8-10H2,1-7H3,(H,16,18)(H,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=64.9058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.417 g/mol  logS: -3.77247  SlogP: 2.4797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647089  Sterimol/B1: 2.28713  Sterimol/B2: 3.46895  Sterimol/B3: 3.52169
  Sterimol/B4: 7.95315  Sterimol/L: 15.7961 
 
 Surface and Volume Properties
  Accessible surface: 569.056  Positive charged surface: 420.474  Negative charged surface: 148.582  Volume: 299.625
  Hydrophobic surface: 399.987  Hydrophilic surface: 169.069
 
 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.