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PUBCHEM-ZINC05900788

 MMsINC code: MMs03435965
Type: Neutral
Formula: C13H23NO
SMILES:   O=C(NCCC=1CCCCC=1)C(C)(C)C
InChI:   InChI=1/C13H23NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=22.7412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.333 g/mol  logS: -2.34313  SlogP: 3.0392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750913  Sterimol/B1: 2.27009  Sterimol/B2: 3.31261  Sterimol/B3: 3.93618
  Sterimol/B4: 4.58375  Sterimol/L: 14.861 
 
 Surface and Volume Properties
  Accessible surface: 477.387  Positive charged surface: 351.294  Negative charged surface: 126.092  Volume: 238.125
  Hydrophobic surface: 382.189  Hydrophilic surface: 95.198
 
 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.