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PUBCHEM-ZINC05966376

 MMsINC code: MMs03466165
Type: Neutral
Formula: C11H21NO
SMILES:   O=C1N(CCCCCCCCC1)C
InChI:   InChI=1/C11H21NO/c1-12-10-8-6-4-2-3-5-7-9-11(12)13/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -2.35407  SlogP: 2.5792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258161  Sterimol/B1: 2.36531  Sterimol/B2: 4.10969  Sterimol/B3: 4.15959
  Sterimol/B4: 5.34717  Sterimol/L: 10.0377 
 
 Surface and Volume Properties
  Accessible surface: 379.53  Positive charged surface: 296.803  Negative charged surface: 82.7268  Volume: 205.25
  Hydrophobic surface: 344.135  Hydrophilic surface: 35.395
 
 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.