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PUBCHEM-ZINC02170198

 MMsINC code: MMs02879791
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NCC(C)C)CCCCCC
InChI:   InChI=1/C11H23NO/c1-4-5-6-7-8-11(13)12-9-10(2)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)=2.02426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.76387  SlogP: 2.729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291157  Sterimol/B1: 2.86612  Sterimol/B2: 2.97617  Sterimol/B3: 3.084
  Sterimol/B4: 3.71893  Sterimol/L: 17.129 
 
 Surface and Volume Properties
  Accessible surface: 473.819  Positive charged surface: 365.013  Negative charged surface: 108.806  Volume: 218.5
  Hydrophobic surface: 366.315  Hydrophilic surface: 107.504
 
 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.