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PUBCHEM-ZINC06039664

 MMsINC code: MMs03508495
Type: Neutral
Formula: C13H23NO
SMILES:   O=C(NCCC=1CCCCC=1)CCCC
InChI:   InChI=1/C13H23NO/c1-2-3-9-13(15)14-11-10-12-7-5-4-6-8-12/h7H,2-6,8-11H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=9.39976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.333 g/mol  logS: -2.97003  SlogP: 3.1833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478496  Sterimol/B1: 2.94421  Sterimol/B2: 3.25029  Sterimol/B3: 4.0178
  Sterimol/B4: 4.0746  Sterimol/L: 17.2855 
 
 Surface and Volume Properties
  Accessible surface: 493.304  Positive charged surface: 382.346  Negative charged surface: 110.958  Volume: 239.125
  Hydrophobic surface: 408.984  Hydrophilic surface: 84.32
 
 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.