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PUBCHEM-ZINC05382510

 MMsINC code: MMs03253022
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(NC1CCCCCC1)C1CCCCC1
InChI:   InChI=1/C14H25NO/c16-14(12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-13/h12-13H,1-11H2,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.8081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.60399  SlogP: 3.4057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682137  Sterimol/B1: 2.54716  Sterimol/B2: 2.96456  Sterimol/B3: 3.83508
  Sterimol/B4: 4.86916  Sterimol/L: 14.329 
 
 Surface and Volume Properties
  Accessible surface: 470.27  Positive charged surface: 372.847  Negative charged surface: 97.4237  Volume: 246
  Hydrophobic surface: 439.212  Hydrophilic surface: 31.058
 
 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.