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PUBCHEM-ZINC05496065

 MMsINC code: MMs03286460
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(NC1CCCCCC1)CC(C)(C)C
InChI:   InChI=1/C13H25NO/c1-13(2,3)10-12(15)14-11-8-6-4-5-7-9-11/h11H,4-10H2,1-3H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=50.5451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -3.50426  SlogP: 3.2616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847846  Sterimol/B1: 2.57529  Sterimol/B2: 2.93562  Sterimol/B3: 3.74473
  Sterimol/B4: 5.44014  Sterimol/L: 14.1561 
 
 Surface and Volume Properties
  Accessible surface: 460.84  Positive charged surface: 351.45  Negative charged surface: 109.39  Volume: 240.125
  Hydrophobic surface: 381.693  Hydrophilic surface: 79.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.