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PUBCHEM-ZINC02006937

 MMsINC code: MMs02846850
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NC(CCC)CCC)CCC
InChI:   InChI=1/C11H23NO/c1-4-7-10(8-5-2)12-11(13)9-6-3/h10H,4-9H2,1-3H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.81205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.57586  SlogP: 2.8715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818562  Sterimol/B1: 1.9923  Sterimol/B2: 2.71904  Sterimol/B3: 3.15878
  Sterimol/B4: 8.85662  Sterimol/L: 13.3221 
 
 Surface and Volume Properties
  Accessible surface: 462.038  Positive charged surface: 357.596  Negative charged surface: 104.442  Volume: 219.25
  Hydrophobic surface: 363.471  Hydrophilic surface: 98.567
 
 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.