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PUBCHEM-ZINC01466498

 MMsINC code: MMs02809965
Type: Neutral
Formula: C17H31NO
SMILES:   O=C(N(C1CCCCC1)C1CCCCC1)CC(C)C
InChI:   InChI=1/C17H31NO/c1-14(2)13-17(19)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=98.7115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.441 g/mol  logS: -3.83897  SlogP: 4.5265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187032  Sterimol/B1: 2.50857  Sterimol/B2: 3.06696  Sterimol/B3: 4.32694
  Sterimol/B4: 8.77928  Sterimol/L: 12.6717 
 
 Surface and Volume Properties
  Accessible surface: 522.19  Positive charged surface: 410.635  Negative charged surface: 111.555  Volume: 295.625
  Hydrophobic surface: 478.747  Hydrophilic surface: 43.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.